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]+	129.102236	125.5
[M+Na]+	151.084178	131.0
[M-H]-	127.087684	131.4
[M+NH4]+	146.128783	149.7
[M+K]+	167.058118	132.6
[M+H-H2O]+	111.092220	119.2
[M+HCOO]-	173.093161	153.2
[M+CH3COO]-	187.108811	180.1
[M+Na-2H]-	149.069626	131.4
[M]+	128.09441142	124.4
[M]-	128.09550858	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.