PubChemLite - Corylidin (C20H16O7)

Structural Information

Molecular Formula

SMILES

CC1(C(C(C2=C(O1)C=C3C(=C2)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)O)O)C

InChI

InChI=1S/C20H16O7/c1-20(2)18(23)16(22)10-6-11-13(7-14(10)27-20)26-19(24)15-9-4-3-8(21)5-12(9)25-17(11)15/h3-7,16,18,21-23H,1-2H3

InChIKey

QYJUEWQOEZPDIA-UHFFFAOYSA-N

Compound name

6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-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]+	369.09688	180.9
[M+Na]+	391.07882	195.0
[M-H]-	367.08232	188.8
[M+NH4]+	386.12342	196.0
[M+K]+	407.05276	193.6
[M+H-H2O]+	351.08686	174.7
[M+HCOO]-	413.08780	194.7
[M+CH3COO]-	427.10345	193.2
[M+Na-2H]-	389.06427	188.6
[M]+	368.08905	190.0
[M]-	368.09015	190.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

369.09688

180.9

[M+Na]+

391.07882

195.0

[M-H]-

367.08232

188.8

[M+NH4]+

386.12342

196.0

[M+K]+

407.05276

193.6

[M+H-H2O]+

351.08686

174.7

[M+HCOO]-

413.08780

194.7

[M+CH3COO]-

427.10345

193.2

[M+Na-2H]-

389.06427

188.6

[M]+

368.08905

190.0

[M]-

368.09015

190.0

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

Corylidin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe