CID 75020

Cyclohexyl nitrate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1CCC(CC1)O[N+](=O)[O-]

InChI

InChI=1S/C6H11NO3/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

HLYOOCIMLHNMOG-UHFFFAOYSA-N

Compound name

cyclohexyl nitrate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1824
Patents: 145.0739 Da
Monoisotopic Mass: 2.3
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]+	146.081176	128.6
[M+Na]+	168.063118	133.0
[M-H]-	144.066624	131.4
[M+NH4]+	163.107723	148.7
[M+K]+	184.037058	129.4
[M+H-H2O]+	128.071160	127.7
[M+HCOO]-	190.072101	151.2
[M+CH3COO]-	204.087751	166.8
[M+Na-2H]-	166.048566	136.1
[M]+	145.07335142	123.5
[M]-	145.07444858	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe