CID 84164

2,4,4,6,6-pentamethyl-1-heptene

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CC(=C)CC(C)(C)CC(C)(C)C

InChI

InChI=1S/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h1,8-9H2,2-7H3

InChIKey

NSSBKMKRTGHAAN-UHFFFAOYSA-N

Compound name

2,4,4,6,6-pentamethylhept-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 122
Patents: 168.1878 Da
Monoisotopic Mass: 5.4
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]+	169.19508	144.9
[M+Na]+	191.17702	154.4
[M+NH4]+	186.22162	152.6
[M+K]+	207.15096	149.3
[M-H]-	167.18052	143.7
[M+Na-2H]-	189.16247	147.9
[M]+	168.18725	146.0
[M]-	168.18835	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe