CID 55281354

2,2-dimethylpent-4-yn-1-amine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC(C)(CC#C)CN

InChI

InChI=1S/C7H13N/c1-4-5-7(2,3)6-8/h1H,5-6,8H2,2-3H3

InChIKey

YELQCLBHDJTVOT-UHFFFAOYSA-N

Compound name

2,2-dimethylpent-4-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 111.1048 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]+	112.11208	125.5
[M+Na]+	134.09402	135.0
[M+NH4]+	129.13862	130.1
[M+K]+	150.06796	127.1
[M-H]-	110.09752	117.6
[M+Na-2H]-	132.07947	126.9
[M]+	111.10425	123.7
[M]-	111.10535	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe