CID 70920

1118-17-8

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(C)(C)NC(C)(C)C#C

InChI

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

InChIKey

YXIAJHJGVGZXCG-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-methylbut-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 139.1361 Da
Monoisotopic Mass: 1.5
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	133.9
[M+Na]+	162.12532	143.1
[M+NH4]+	157.16992	138.2
[M+K]+	178.09926	135.6
[M-H]-	138.12882	125.6
[M+Na-2H]-	160.11077	135.2
[M]+	139.13555	132.0
[M]-	139.13665	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe