CID 220639

1-nitropentane

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CCCCC[N+](=O)[O-]

InChI

InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3

InChIKey

BVALZCVRLDMXOQ-UHFFFAOYSA-N

Compound name

1-nitropentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 888
Patents: 117.07898 Da
Monoisotopic Mass: 2.0
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]+	118.08626	122.1
[M+Na]+	140.06820	133.6
[M+NH4]+	135.11280	130.6
[M+K]+	156.04214	130.4
[M-H]-	116.07170	123.3
[M+Na-2H]-	138.05365	126.4
[M]+	117.07843	123.9
[M]-	117.07953	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe