CID 154700069

Ns00117779

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CCCN(C(CC)O)N=O

InChI

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

InChIKey

WYYFOPVMKKUFNN-UHFFFAOYSA-N

Compound name

N-(1-hydroxypropyl)-N-propylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.10553 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]+	147.112806	131.9
[M+Na]+	169.094748	137.6
[M-H]-	145.098254	133.6
[M+NH4]+	164.139353	153.3
[M+K]+	185.068688	139.4
[M+H-H2O]+	129.102790	126.1
[M+HCOO]-	191.103731	157.9
[M+CH3COO]-	205.119381	184.3
[M+Na-2H]-	167.080196	137.3
[M]+	146.10498142	134.3
[M]-	146.10607858	134.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.