CID 5329059

Chembl132451

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CC(=O)NC1=C(C=C(C=C1)C(=O)O)/C=N/O
InChI
InChI=1S/C10H10N2O4/c1-6(13)12-9-3-2-7(10(14)15)4-8(9)5-11-16/h2-5,16H,1H3,(H,12,13)(H,14,15)/b11-5+
InChIKey
YNJGSGVNUHRIFF-VZUCSPMQSA-N
Compound name
4-acetamido-3-[(E)-hydroxyiminomethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

222.06406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 145.7
[M+Na]+ 245.05328 152.5
[M-H]- 221.05678 148.5
[M+NH4]+ 240.09788 162.7
[M+K]+ 261.02722 150.9
[M+H-H2O]+ 205.06132 139.2
[M+HCOO]- 267.06226 169.9
[M+CH3COO]- 281.07791 190.4
[M+Na-2H]- 243.03873 149.6
[M]+ 222.06351 145.5
[M]- 222.06461 145.5
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.