CID 12840089

3-(carboxymethoxy)benzoic acid

Structural Information

Molecular Formula
C9H8O5
SMILES
C1=CC(=CC(=C1)OCC(=O)O)C(=O)O
InChI
InChI=1S/C9H8O5/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey
GXFAJSDLPLCRIQ-UHFFFAOYSA-N
Compound name
3-(carboxymethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

196.03717 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 139.0
[M+Na]+ 219.02639 149.2
[M+NH4]+ 214.07099 144.8
[M+K]+ 235.00033 146.1
[M-H]- 195.02989 137.9
[M+Na-2H]- 217.01184 143.0
[M]+ 196.03662 139.7
[M]- 196.03772 139.7
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