CID 75714

Nitrocyclopentane

Structural Information

Molecular Formula

SMILES

C1CCC(C1)[N+](=O)[O-]

InChI

InChI=1S/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2

InChIKey

CJSZWOGCKKDSJG-UHFFFAOYSA-N

Compound name

nitrocyclopentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 769
Patents: 115.06333 Da
Monoisotopic Mass: 1.3
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]+	116.070606	122.7
[M+Na]+	138.052548	128.6
[M-H]-	114.056054	126.0
[M+NH4]+	133.097153	146.0
[M+K]+	154.026488	124.7
[M+H-H2O]+	98.060590	122.4
[M+HCOO]-	160.061531	147.5
[M+CH3COO]-	174.077181	161.5
[M+Na-2H]-	136.037996	129.5
[M]+	115.06278142	117.8
[M]-	115.06387858	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe