CID 3072560

143347-16-4

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CCC(C)N(C)CC#C

InChI

InChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3

InChIKey

CJRQAPHWCGEATR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1953
Patents: 125.12045 Da
Monoisotopic Mass: 1.7
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]+	126.127726	127.9
[M+Na]+	148.109668	135.9
[M-H]-	124.113174	128.7
[M+NH4]+	143.154273	148.2
[M+K]+	164.083608	135.6
[M+H-H2O]+	108.117710	117.0
[M+HCOO]-	170.118651	146.0
[M+CH3COO]-	184.134301	189.1
[M+Na-2H]-	146.095116	131.8
[M]+	125.11990142	123.8
[M]-	125.12099858	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe