CID 132553

143347-18-6

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CCCC(C)N(C)CC#C

InChI

InChI=1S/C9H17N/c1-5-7-9(3)10(4)8-6-2/h2,9H,5,7-8H2,1,3-4H3

InChIKey

BSNWMBHBPLPDNI-UHFFFAOYSA-N

Compound name

N-methyl-N-prop-2-ynylpentan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 325
Patents: 139.1361 Da
Monoisotopic Mass: 2.1
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]+	140.14338	132.6
[M+Na]+	162.12532	142.3
[M+NH4]+	157.16992	137.4
[M+K]+	178.09926	133.8
[M-H]-	138.12882	125.6
[M+Na-2H]-	160.11077	134.1
[M]+	139.13555	131.1
[M]-	139.13665	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe