CID 6410409

4-[2-(n-hydroxyimino)acetamido]benzoic acid

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C=NO
InChI
InChI=1S/C9H8N2O4/c12-8(5-10-15)11-7-3-1-6(2-4-7)9(13)14/h1-5,15H,(H,11,12)(H,13,14)
InChIKey
SDTJRMCHWCUSBN-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyiminoacetyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.055676 141.3
[M+Na]+ 231.037618 147.6
[M-H]- 207.041124 143.9
[M+NH4]+ 226.082223 158.5
[M+K]+ 247.011558 146.2
[M+H-H2O]+ 191.045660 134.8
[M+HCOO]- 253.046601 165.9
[M+CH3COO]- 267.062251 186.1
[M+Na-2H]- 229.023066 146.5
[M]+ 208.04785142 140.3
[M]- 208.04894858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.