CID 31680804

N-(2-nitrophenyl)pyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C11H13N3O3
SMILES
C1CCN(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O3/c15-11(13-7-3-4-8-13)12-9-5-1-2-6-10(9)14(16)17/h1-2,5-6H,3-4,7-8H2,(H,12,15)
InChIKey
GVXZLOXHFCMWRT-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 150.1
[M+Na]+ 258.08491 154.3
[M-H]- 234.08841 155.2
[M+NH4]+ 253.12951 166.5
[M+K]+ 274.05885 148.3
[M+H-H2O]+ 218.09295 146.8
[M+HCOO]- 280.09389 173.6
[M+CH3COO]- 294.10954 184.0
[M+Na-2H]- 256.07036 155.5
[M]+ 235.09514 144.8
[M]- 235.09624 144.8
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

No patent data available for this compound.