CID 137924

3,3-dimethyl-1-hexene

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCCC(C)(C)C=C

InChI

InChI=1S/C8H16/c1-5-7-8(3,4)6-2/h6H,2,5,7H2,1,3-4H3

InChIKey

RXYYKIMRVXDSFR-UHFFFAOYSA-N

Compound name

3,3-dimethylhex-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1195
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	125.5
[M+Na]+	135.11442	132.7
[M-H]-	111.11792	125.9
[M+NH4]+	130.15902	148.8
[M+K]+	151.08836	132.0
[M+H-H2O]+	95.122460	121.9
[M+HCOO]-	157.12340	147.4
[M+CH3COO]-	171.13905	172.8
[M+Na-2H]-	133.09987	132.4
[M]+	112.12465	126.5
[M]-	112.12575	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe