CID 335010

24941-58-0

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=CC(C=C(C1)OC)C(=O)O
InChI
InChI=1S/C9H12O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-4,6H,5H2,1-2H3,(H,10,11)
InChIKey
FSWGOIHYIIOIJR-UHFFFAOYSA-N
Compound name
3,5-dimethoxycyclohexa-2,5-diene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

184.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 136.1
[M+Na]+ 207.062778 143.8
[M-H]- 183.066284 138.7
[M+NH4]+ 202.107383 155.5
[M+K]+ 223.036718 143.3
[M+H-H2O]+ 167.070820 130.7
[M+HCOO]- 229.071761 157.8
[M+CH3COO]- 243.087411 179.5
[M+Na-2H]- 205.048226 140.3
[M]+ 184.07301142 138.0
[M]- 184.07410858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe