CID 91630

2-oppn

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

CCCN(CC(=O)C)N=O

InChI

InChI=1S/C6H12N2O2/c1-3-4-8(7-10)5-6(2)9/h3-5H2,1-2H3

InChIKey

SVLUODRIGFJEJZ-UHFFFAOYSA-N

Compound name

N-(2-oxopropyl)-N-propylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 17
Patents: 144.08987 Da
Monoisotopic Mass: 0.8
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]+	145.09715	130.7
[M+Na]+	167.07909	139.2
[M+NH4]+	162.12369	137.8
[M+K]+	183.05303	135.0
[M-H]-	143.08259	130.9
[M+Na-2H]-	165.06454	134.5
[M]+	144.08932	131.5
[M]-	144.09042	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe