CID 2305423

2-carboxymethyl-5-methoxy-benzoic acid

Structural Information

Molecular Formula
C10H10O5
SMILES
COC1=CC(=C(C=C1)CC(=O)O)C(=O)O
InChI
InChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKey
TUJHFMJYEXSKLS-UHFFFAOYSA-N
Compound name
2-(carboxymethyl)-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

210.05283 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 141.2
[M+Na]+ 233.04205 148.8
[M-H]- 209.04555 142.6
[M+NH4]+ 228.08665 158.6
[M+K]+ 249.01599 147.5
[M+H-H2O]+ 193.05009 135.7
[M+HCOO]- 255.05103 161.9
[M+CH3COO]- 269.06668 182.0
[M+Na-2H]- 231.02750 144.1
[M]+ 210.05228 143.0
[M]- 210.05338 143.0
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