CID 18681509

2-carboxyoxybenzoic acid

Structural Information

Molecular Formula
C8H6O5
SMILES
C1=CC=C(C(=C1)C(=O)O)OC(=O)O
InChI
InChI=1S/C8H6O5/c9-7(10)5-3-1-2-4-6(5)13-8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey
CLTAZWADHDXZQR-UHFFFAOYSA-N
Compound name
2-carboxyoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

83
Patents

182.02153 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.028806 132.9
[M+Na]+ 205.010748 140.6
[M-H]- 181.014254 134.3
[M+NH4]+ 200.055353 151.2
[M+K]+ 220.984688 139.7
[M+H-H2O]+ 165.018790 127.5
[M+HCOO]- 227.019731 154.3
[M+CH3COO]- 241.035381 174.0
[M+Na-2H]- 202.996196 137.5
[M]+ 182.02098142 133.5
[M]- 182.02207858 133.5
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