CID 15473852

Cyclopentyl nitrite

Structural Information

Molecular Formula

SMILES

C1CCC(C1)ON=O

InChI

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

InChIKey

MAEOZYAUPZYZTO-UHFFFAOYSA-N

Compound name

cyclopentyl nitrite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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	119.9
[M+Na]+	138.052548	126.5
[M-H]-	114.056054	124.6
[M+NH4]+	133.097153	144.3
[M+K]+	154.026488	127.6
[M+H-H2O]+	98.060590	114.4
[M+HCOO]-	160.061531	146.7
[M+CH3COO]-	174.077181	170.7
[M+Na-2H]-	136.037996	126.8
[M]+	115.06278142	119.4
[M]-	115.06387858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe