CID 7868

Diisobutylene

Structural Information

Molecular Formula
C8H16
SMILES
CC(=C)CC(C)(C)C
InChI
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
InChIKey
FXNDIJDIPNCZQJ-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpent-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

31808
Patents

112.1252 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 125.3
[M+Na]+ 135.11442 132.5
[M-H]- 111.11792 126.0
[M+NH4]+ 130.15902 148.7
[M+K]+ 151.08836 132.2
[M+H-H2O]+ 95.122460 121.9
[M+HCOO]- 157.12340 146.3
[M+CH3COO]- 171.13905 172.9
[M+Na-2H]- 133.09987 131.0
[M]+ 112.12465 125.6
[M]- 112.12575 125.6
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