CID 53725

N-nitrosobis(2-oxobutyl)amine

Structural Information

Molecular Formula

C₈H₁₄N₂O₃

SMILES

CCC(=O)CN(CC(=O)CC)N=O

InChI

InChI=1S/C8H14N2O3/c1-3-7(11)5-10(9-13)6-8(12)4-2/h3-6H2,1-2H3

InChIKey

QSZKSGSXMHZCEF-UHFFFAOYSA-N

Compound name

N,N-bis(2-oxobutyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 186.10045 Da
Monoisotopic Mass: 0.6
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]+	187.107726	140.5
[M+Na]+	209.089668	146.1
[M-H]-	185.093174	143.4
[M+NH4]+	204.134273	160.7
[M+K]+	225.063608	148.1
[M+H-H2O]+	169.097710	134.2
[M+HCOO]-	231.098651	167.0
[M+CH3COO]-	245.114301	194.1
[M+Na-2H]-	207.075116	144.3
[M]+	186.09990142	145.0
[M]-	186.10099858	145.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.