CID 565873

19788-24-0

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC(C)(C#C)N(C)C

InChI

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

InChIKey

BSGLGIKDBHPSMZ-UHFFFAOYSA-N

Compound name

N,N,2-trimethylbut-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 111.1048 Da
Monoisotopic Mass: 1.0
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]+	112.112076	125.3
[M+Na]+	134.094018	134.2
[M-H]-	110.097524	126.7
[M+NH4]+	129.138623	146.3
[M+K]+	150.067958	134.4
[M+H-H2O]+	94.102060	115.1
[M+HCOO]-	156.103001	143.2
[M+CH3COO]-	170.118651	185.9
[M+Na-2H]-	132.079466	131.2
[M]+	111.10425142	121.0
[M]-	111.10534858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe