CID 385917

Nsc677379

Structural Information

Molecular Formula
C10H11N3O4
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)CC(=O)NN
InChI
InChI=1S/C10H11N3O4/c11-13-9(15)5-8(14)12-7-3-1-6(2-4-7)10(16)17/h1-4H,5,11H2,(H,12,14)(H,13,15)(H,16,17)
InChIKey
PWNDVCGSRGYOLJ-UHFFFAOYSA-N
Compound name
4-[(3-hydrazinyl-3-oxopropanoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.07495 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08223 150.3
[M+Na]+ 260.06417 154.9
[M-H]- 236.06767 152.1
[M+NH4]+ 255.10877 165.5
[M+K]+ 276.03811 153.6
[M+H-H2O]+ 220.07221 143.0
[M+HCOO]- 282.07315 173.8
[M+CH3COO]- 296.08880 195.1
[M+Na-2H]- 258.04962 152.8
[M]+ 237.07440 147.2
[M]- 237.07550 147.2
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.