CID 23471

Methylbutylnitrosamine

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCCCN(C)N=O

InChI

InChI=1S/C5H12N2O/c1-3-4-5-7(2)6-8/h3-5H2,1-2H3

InChIKey

PKTSCJXWLVREKX-UHFFFAOYSA-N

Compound name

N-butyl-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 282
Patents: 116.09496 Da
Monoisotopic Mass: 1.4
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]+	117.10224	123.7
[M+Na]+	139.08418	133.2
[M+NH4]+	134.12878	132.0
[M+K]+	155.05812	127.9
[M-H]-	115.08768	124.9
[M+Na-2H]-	137.06963	128.7
[M]+	116.09441	125.1
[M]-	116.09551	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe