CID 139008

1-dimethylamino-2-pentyne

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CCC#CCN(C)C

InChI

InChI=1S/C7H13N/c1-4-5-6-7-8(2)3/h4,7H2,1-3H3

InChIKey

XOJYPYPTLZUHAG-UHFFFAOYSA-N

Compound name

N,N-dimethylpent-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 111.1048 Da
Monoisotopic Mass: 1.3
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]+	112.11208	124.7
[M+Na]+	134.09402	135.2
[M+NH4]+	129.13862	130.0
[M+K]+	150.06796	126.3
[M-H]-	110.09752	118.0
[M+Na-2H]-	132.07947	127.0
[M]+	111.10425	123.4
[M]-	111.10535	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe