CID 63656654

2375268-33-8

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(C)(C)CNCCC#C

InChI

InChI=1S/C9H17N/c1-5-6-7-10-8-9(2,3)4/h1,10H,6-8H2,2-4H3

InChIKey

VYEDBIDNIGZHMS-UHFFFAOYSA-N

Compound name

N-but-3-ynyl-2,2-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	133.4
[M+Na]+	162.12532	143.0
[M+NH4]+	157.16992	138.0
[M+K]+	178.09926	134.4
[M-H]-	138.12882	125.7
[M+Na-2H]-	160.11077	134.8
[M]+	139.13555	131.7
[M]-	139.13665	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.