CID 175643

95732-52-8

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CC(CCCN(C)N=O)O

InChI

InChI=1S/C6H14N2O2/c1-6(9)4-3-5-8(2)7-10/h6,9H,3-5H2,1-2H3

InChIKey

KFEFEGIRBZOFLE-UHFFFAOYSA-N

Compound name

N-(4-hydroxypentyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.10553 Da
Monoisotopic Mass: 0.7
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]+	147.11281	131.9
[M+Na]+	169.09475	137.6
[M-H]-	145.09825	133.6
[M+NH4]+	164.13935	153.3
[M+K]+	185.06869	139.4
[M+H-H2O]+	129.10279	126.1
[M+HCOO]-	191.10373	157.9
[M+CH3COO]-	205.11938	184.3
[M+Na-2H]-	167.08020	137.3
[M]+	146.10498	134.3
[M]-	146.10608	134.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.