CID 27314

4-nitrobutanamide

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

C(CC(=O)N)C[N+](=O)[O-]

InChI

InChI=1S/C4H8N2O3/c5-4(7)2-1-3-6(8)9/h1-3H2,(H2,5,7)

InChIKey

CUSYXOQIPLRISK-UHFFFAOYSA-N

Compound name

4-nitrobutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 132.0535 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	133.06078	124.0
[M+Na]+	155.04272	130.4
[M-H]-	131.04622	124.0
[M+NH4]+	150.08732	144.4
[M+K]+	171.01666	126.7
[M+H-H2O]+	115.05076	123.7
[M+HCOO]-	177.05170	149.6
[M+CH3COO]-	191.06735	167.8
[M+Na-2H]-	153.02817	130.8
[M]+	132.05295	121.6
[M]-	132.05405	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe