CID 23543120

4-(methoxycarbonyl)-2-methylbenzoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
CC1=C(C=CC(=C1)C(=O)OC)C(=O)O
InChI
InChI=1S/C10H10O4/c1-6-5-7(10(13)14-2)3-4-8(6)9(11)12/h3-5H,1-2H3,(H,11,12)
InChIKey
ZQKSVHOYMATPAD-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

194.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.7
[M+Na]+ 217.04712 146.1
[M-H]- 193.05062 140.7
[M+NH4]+ 212.09172 156.7
[M+K]+ 233.02106 145.0
[M+H-H2O]+ 177.05516 132.3
[M+HCOO]- 239.05610 159.8
[M+CH3COO]- 253.07175 181.6
[M+Na-2H]- 215.03257 141.2
[M]+ 194.05735 139.9
[M]- 194.05845 139.9
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