PubChemLite - Stictic acid (C19H14O9)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC

InChI

InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3

InChIKey

SKCUFZLDTAYNBZ-UHFFFAOYSA-N

Compound name

13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde

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]+	387.07106	190.6
[M+Na]+	409.05300	201.3
[M+NH4]+	404.09760	194.7
[M+K]+	425.02694	201.2
[M-H]-	385.05650	193.7
[M+Na-2H]-	407.03845	187.7
[M]+	386.06323	192.9
[M]-	386.06433	192.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.07106

190.6

[M+Na]+

409.05300

201.3

[M+NH4]+

404.09760

194.7

[M+K]+

425.02694

201.2

[M-H]-

385.05650

193.7

[M+Na-2H]-

407.03845

187.7

[M]+

386.06323

192.9

[M]-

386.06433

192.9

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

Stictic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe