CID 33451

2,5-dimethyl-1-hexene

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CC(C)CCC(=C)C

InChI

InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h8H,1,5-6H2,2-4H3

InChIKey

ISZWTVCVSJVEOL-UHFFFAOYSA-N

Compound name

2,5-dimethylhex-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1037
Patents: 112.1252 Da
Monoisotopic Mass: 3.8
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]+	113.13248	126.9
[M+Na]+	135.11442	137.5
[M+NH4]+	130.15902	135.5
[M+K]+	151.08836	131.6
[M-H]-	111.11792	127.0
[M+Na-2H]-	133.09987	130.8
[M]+	112.12465	128.3
[M]-	112.12575	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe