CID 3427405

2-[(3-nitrophenyl)formamido]propanoic acid

Structural Information

Molecular Formula
C10H10N2O5
SMILES
CC(C(=O)O)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O5/c1-6(10(14)15)11-9(13)7-3-2-4-8(5-7)12(16)17/h2-6H,1H3,(H,11,13)(H,14,15)
InChIKey
CDBXKLYOJGRINM-UHFFFAOYSA-N
Compound name
2-[(3-nitrobenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

238.05898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.066256 147.4
[M+Na]+ 261.048198 152.2
[M-H]- 237.051704 149.7
[M+NH4]+ 256.092803 162.6
[M+K]+ 277.022138 147.3
[M+H-H2O]+ 221.056240 145.6
[M+HCOO]- 283.057181 170.3
[M+CH3COO]- 297.072831 184.7
[M+Na-2H]- 259.033646 151.8
[M]+ 238.05843142 145.0
[M]- 238.05952858 145.0
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