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: 25
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]+	140.143376	137.3
[M+Na]+	162.125318	145.6
[M-H]-	138.128824	137.3
[M+NH4]+	157.169923	156.8
[M+K]+	178.099258	144.6
[M+H-H2O]+	122.133360	127.5
[M+HCOO]-	184.134301	152.7
[M+CH3COO]-	198.149951	187.9
[M+Na-2H]-	160.110766	143.1
[M]+	139.13555142	131.9
[M]-	139.13664858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe