CID 125833

3-(methylnitrosoamino)-1-propanol

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

CN(CCCO)N=O

InChI

InChI=1S/C4H10N2O2/c1-6(5-8)3-2-4-7/h7H,2-4H2,1H3

InChIKey

DNPICXVYNIZRFB-UHFFFAOYSA-N

Compound name

N-(3-hydroxypropyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 118.07423 Da
Monoisotopic Mass: -0.1
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]+	119.081506	121.8
[M+Na]+	141.063448	128.5
[M-H]-	117.066954	123.8
[M+NH4]+	136.108053	144.4
[M+K]+	157.037388	130.5
[M+H-H2O]+	101.071490	116.4
[M+HCOO]-	163.072431	149.5
[M+CH3COO]-	177.088081	177.3
[M+Na-2H]-	139.048896	129.6
[M]+	118.07368142	124.2
[M]-	118.07477858	124.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.