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

73
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 136.5
[M+Na]+ 219.03762 142.5
[M-H]- 195.04112 139.0
[M+NH4]+ 214.08222 153.8
[M+K]+ 235.01156 137.0
[M+H-H2O]+ 179.04566 135.0
[M+HCOO]- 241.04660 161.7
[M+CH3COO]- 255.06225 176.6
[M+Na-2H]- 217.02307 144.2
[M]+ 196.04785 134.1
[M]- 196.04895 134.1
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