CID 584245

14736-49-3

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)C1=CC=CC=C1CC(=O)O
InChI
InChI=1S/C10H10O4/c1-14-10(13)8-5-3-2-4-7(8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
InChIKey
UFUWTDVWSUXJEH-UHFFFAOYSA-N
Compound name
2-(2-methoxycarbonylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

194.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 138.7
[M+Na]+ 217.04712 146.2
[M-H]- 193.05062 141.3
[M+NH4]+ 212.09172 157.4
[M+K]+ 233.02106 145.1
[M+H-H2O]+ 177.05516 133.1
[M+HCOO]- 239.05610 160.8
[M+CH3COO]- 253.07175 180.3
[M+Na-2H]- 215.03257 142.9
[M]+ 194.05735 140.6
[M]- 194.05845 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe