CID 7869

2,4,4-trimethyl-2-pentene

Structural Information

Molecular Formula
C8H16
SMILES
CC(=CC(C)(C)C)C
InChI
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
InChIKey
LAAVYEUJEMRIGF-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

2745
Patents

112.1252 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 127.1
[M+Na]+ 135.11442 137.8
[M+NH4]+ 130.15902 135.7
[M+K]+ 151.08836 132.3
[M-H]- 111.11792 126.7
[M+Na-2H]- 133.09987 131.2
[M]+ 112.12465 128.5
[M]- 112.12575 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe