CID 14436898

75098-43-0

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CN(C1CCCC1)N=O

InChI

InChI=1S/C6H12N2O/c1-8(7-9)6-4-2-3-5-6/h6H,2-5H2,1H3

InChIKey

DZILOFHKHFUKIO-UHFFFAOYSA-N

Compound name

N-cyclopentyl-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.09496 Da
Monoisotopic Mass: 1.5
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]+	129.10224	125.5
[M+Na]+	151.08418	131.0
[M-H]-	127.08768	131.4
[M+NH4]+	146.12878	149.7
[M+K]+	167.05812	132.6
[M+H-H2O]+	111.09222	119.2
[M+HCOO]-	173.09316	153.2
[M+CH3COO]-	187.10881	180.1
[M+Na-2H]-	149.06963	131.4
[M]+	128.09441	124.4
[M]-	128.09551	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.