CID 13545

Methylpropylnitrosamine

Structural Information

Molecular Formula

C₄H₁₀N₂O

SMILES

CCCN(C)N=O

InChI

InChI=1S/C4H10N2O/c1-3-4-6(2)5-7/h3-4H2,1-2H3

InChIKey

ITBDKUCVKYSWMF-UHFFFAOYSA-N

Compound name

N-methyl-N-propylnitrous amide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 22
Patents: 102.079315 Da
Monoisotopic Mass: 1.1
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]+	103.08659	118.5
[M+Na]+	125.06853	125.6
[M-H]-	101.07204	121.9
[M+NH4]+	120.11314	142.4
[M+K]+	141.04247	128.1
[M+H-H2O]+	85.076575	113.1
[M+HCOO]-	147.07752	147.3
[M+CH3COO]-	161.09317	178.1
[M+Na-2H]-	123.05398	126.8
[M]+	102.07877	121.3
[M]-	102.07986	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe