CID 25089

Glycine, n-(m-nitrophenyl)-

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)O
InChI
InChI=1S/C8H8N2O4/c11-8(12)5-9-6-2-1-3-7(4-6)10(13)14/h1-4,9H,5H2,(H,11,12)
InChIKey
YWWRLAPJIGCYRN-UHFFFAOYSA-N
Compound name
2-(3-nitroanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

196.0484 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 137.6
[M+Na]+ 219.03762 148.6
[M+NH4]+ 214.08222 144.3
[M+K]+ 235.01156 147.0
[M-H]- 195.04112 139.7
[M+Na-2H]- 217.02307 142.9
[M]+ 196.04785 139.3
[M]- 196.04895 139.3
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

patents stripe