CID 6410002

6579-46-0

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=N/O
InChI
InChI=1S/C9H8N2O4/c12-8(5-10-15)11-7-4-2-1-3-6(7)9(13)14/h1-5,15H,(H,11,12)(H,13,14)/b10-5+
InChIKey
HKECZOKZNVYPQT-BJMVGYQFSA-N
Compound name
2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

208.0484 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05568 141.3
[M+Na]+ 231.03762 147.6
[M-H]- 207.04112 143.9
[M+NH4]+ 226.08222 158.5
[M+K]+ 247.01156 146.2
[M+H-H2O]+ 191.04566 134.8
[M+HCOO]- 253.04660 165.9
[M+CH3COO]- 267.06225 186.1
[M+Na-2H]- 229.02307 146.5
[M]+ 208.04785 140.3
[M]- 208.04895 140.3
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

No patent data available for this compound.