CID 110670

Einecs 226-940-3

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C8H16N2O2/c1-4-8(11)7(3)6-10(5-2)9-12/h7H,4-6H2,1-3H3

InChIKey

JHVHAKCWFZMCRS-UHFFFAOYSA-N

Compound name

N-ethyl-N-(2-methyl-3-oxopentyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.12119 Da
Monoisotopic Mass: 1.3
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]+	173.12847	139.8
[M+Na]+	195.11041	147.5
[M+NH4]+	190.15501	146.4
[M+K]+	211.08435	143.6
[M-H]-	171.11391	139.6
[M+Na-2H]-	193.09586	142.6
[M]+	172.12064	140.4
[M]-	172.12174	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.