CID 16769632

N-{[(3-nitrophenyl)amino]carbonyl}glycine

Structural Information

Molecular Formula
C9H9N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NCC(=O)O
InChI
InChI=1S/C9H9N3O5/c13-8(14)5-10-9(15)11-6-2-1-3-7(4-6)12(16)17/h1-4H,5H2,(H,13,14)(H2,10,11,15)
InChIKey
DMZBNWBHPVSYBK-UHFFFAOYSA-N
Compound name
2-[(3-nitrophenyl)carbamoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

239.05421 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06149 147.8
[M+Na]+ 262.04343 156.5
[M+NH4]+ 257.08803 152.8
[M+K]+ 278.01737 156.4
[M-H]- 238.04693 149.1
[M+Na-2H]- 260.02888 151.5
[M]+ 239.05366 148.7
[M]- 239.05476 148.7
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