CID 63997072

1189-86-2

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

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

InChI

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

InChIKey

IEKVAVZDQVUJGK-UHFFFAOYSA-N

Compound name

2-methyl-N-propan-2-ylbut-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 125.12045 Da
Monoisotopic Mass: 1.3
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	131.2
[M+Na]+	148.109668	139.4
[M-H]-	124.113174	131.1
[M+NH4]+	143.154273	151.1
[M+K]+	164.083608	138.4
[M+H-H2O]+	108.117710	121.1
[M+HCOO]-	170.118651	147.5
[M+CH3COO]-	184.134301	186.1
[M+Na-2H]-	146.095116	136.0
[M]+	125.11990142	125.5
[M]-	125.12099858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe