CID 3072562

N-(1-butyl)-n-methylpropargylamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CCCCN(C)CC#C

InChI

InChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h2H,4,6-8H2,1,3H3

InChIKey

NJBSAFGMLJQVNT-UHFFFAOYSA-N

Compound name

N-methyl-N-prop-2-ynylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65
Patents: 125.12045 Da
Monoisotopic Mass: 1.6
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]+	126.12773	128.5
[M+Na]+	148.10967	138.7
[M+NH4]+	143.15427	133.6
[M+K]+	164.08361	129.6
[M-H]-	124.11317	121.7
[M+Na-2H]-	146.09512	130.5
[M]+	125.11990	127.1
[M]-	125.12100	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe