CID 19821419

2-amino-3-formylbenzoic acid

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC(=C(C(=C1)C(=O)O)N)C=O
InChI
InChI=1S/C8H7NO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4H,9H2,(H,11,12)
InChIKey
VENQUFMWOGHOCF-UHFFFAOYSA-N
Compound name
2-amino-3-formylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

165.04259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 130.8
[M+Na]+ 188.03181 139.4
[M-H]- 164.03531 133.4
[M+NH4]+ 183.07641 150.3
[M+K]+ 204.00575 137.3
[M+H-H2O]+ 148.03985 125.4
[M+HCOO]- 210.04079 154.6
[M+CH3COO]- 224.05644 177.5
[M+Na-2H]- 186.01726 135.6
[M]+ 165.04204 129.7
[M]- 165.04314 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe