CID 10057463

143347-15-3

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC(C)N(C)CC#C

InChI

InChI=1S/C7H13N/c1-5-6-8(4)7(2)3/h1,7H,6H2,2-4H3

InChIKey

MWMYHRMOZSWZLB-UHFFFAOYSA-N

Compound name

N-methyl-N-prop-2-ynylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 111.1048 Da
Monoisotopic Mass: 1.2
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	123.8
[M+Na]+	134.094018	132.2
[M-H]-	110.097524	124.8
[M+NH4]+	129.138623	144.6
[M+K]+	150.067958	132.2
[M+H-H2O]+	94.102060	113.1
[M+HCOO]-	156.103001	142.2
[M+CH3COO]-	170.118651	186.4
[M+Na-2H]-	132.079466	128.2
[M]+	111.10425142	119.4
[M]-	111.10534858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe