CID 14135

N-(2,4-dinitrophenyl)glycine

Structural Information

Molecular Formula
C8H7N3O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)O
InChI
InChI=1S/C8H7N3O6/c12-8(13)4-9-6-2-1-5(10(14)15)3-7(6)11(16)17/h1-3,9H,4H2,(H,12,13)
InChIKey
RQPREKYEHBAOAR-UHFFFAOYSA-N
Compound name
2-(2,4-dinitroanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

350
Patents

241.03348 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04076 145.6
[M+Na]+ 264.02270 150.5
[M-H]- 240.02620 148.1
[M+NH4]+ 259.06730 159.5
[M+K]+ 279.99664 141.2
[M+H-H2O]+ 224.03074 147.9
[M+HCOO]- 286.03168 170.8
[M+CH3COO]- 300.04733 180.0
[M+Na-2H]- 262.00815 153.9
[M]+ 241.03293 141.8
[M]- 241.03403 141.8
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