PubChemLite - 6-geranylnaringenin (C25H28O5)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)/C)C

InChI

InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1

InChIKey

XYIQIBWIEGCVQY-RWHUQTJRSA-N

Compound name

(2S)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	409.20094	201.0
[M+Na]+	431.18288	206.2
[M-H]-	407.18638	204.7
[M+NH4]+	426.22748	209.6
[M+K]+	447.15682	201.1
[M+H-H2O]+	391.19092	193.0
[M+HCOO]-	453.19186	212.4
[M+CH3COO]-	467.20751	222.9
[M+Na-2H]-	429.16833	197.5
[M]+	408.19311	201.0
[M]-	408.19421	201.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.20094

201.0

[M+Na]+

431.18288

206.2

[M-H]-

407.18638

204.7

[M+NH4]+

426.22748

209.6

[M+K]+

447.15682

201.1

[M+H-H2O]+

391.19092

193.0

[M+HCOO]-

453.19186

212.4

[M+CH3COO]-

467.20751

222.9

[M+Na-2H]-

429.16833

197.5

[M]+

408.19311

201.0

[M]-

408.19421

201.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

6-geranylnaringenin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe