CID 54149635

3-formamido-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1=CC(=C(C=C1C(=O)O)NC=O)O
InChI
InChI=1S/C8H7NO4/c10-4-9-6-3-5(8(12)13)1-2-7(6)11/h1-4,11H,(H,9,10)(H,12,13)
InChIKey
OGVQNMUUNMMAMS-UHFFFAOYSA-N
Compound name
3-formamido-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

181.0375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 133.5
[M+Na]+ 204.02672 141.5
[M-H]- 180.03022 135.2
[M+NH4]+ 199.07132 151.9
[M+K]+ 220.00066 139.5
[M+H-H2O]+ 164.03476 128.0
[M+HCOO]- 226.03570 156.7
[M+CH3COO]- 240.05135 177.9
[M+Na-2H]- 202.01217 138.9
[M]+ 181.03695 133.0
[M]- 181.03805 133.0
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