CID 115659

64011-42-3

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CC(C)CC(C)(C#C)N

InChI

InChI=1S/C8H15N/c1-5-8(4,9)6-7(2)3/h1,7H,6,9H2,2-4H3

InChIKey

XBHKMNOQOHZJIV-UHFFFAOYSA-N

Compound name

3,5-dimethylhex-1-yn-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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]+	126.12773	129.6
[M+Na]+	148.10967	138.7
[M+NH4]+	143.15427	134.0
[M+K]+	164.08361	131.2
[M-H]-	124.11317	121.5
[M+Na-2H]-	146.09512	130.4
[M]+	125.11990	127.6
[M]-	125.12100	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe