CID 12130

N-nitrosodipropylamine

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CCCN(CCC)N=O

InChI

InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3

InChIKey

YLKFDHTUAUWZPQ-UHFFFAOYSA-N

Compound name

N,N-dipropylnitrous amide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 67
References: 2634
Patents: 130.11061 Da
Monoisotopic Mass: 1.4
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]+	131.11789	127.8
[M+Na]+	153.09983	134.2
[M-H]-	129.10333	130.9
[M+NH4]+	148.14443	150.7
[M+K]+	169.07377	136.1
[M+H-H2O]+	113.10787	122.0
[M+HCOO]-	175.10881	156.1
[M+CH3COO]-	189.12446	184.2
[M+Na-2H]-	151.08528	135.1
[M]+	130.11006	131.4
[M]-	130.11116	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.