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

10
Patents

184.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 136.1
[M+Na]+ 207.06278 143.8
[M-H]- 183.06628 138.7
[M+NH4]+ 202.10738 155.5
[M+K]+ 223.03672 143.3
[M+H-H2O]+ 167.07082 130.7
[M+HCOO]- 229.07176 157.8
[M+CH3COO]- 243.08741 179.5
[M+Na-2H]- 205.04823 140.3
[M]+ 184.07301 138.0
[M]- 184.07411 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