CID 27683

4,5-dimethyl-1-hexene

Structural Information

Molecular Formula
C8H16
SMILES
CC(C)C(C)CC=C
InChI
InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKey
UFWIBUBEFUNVNI-UHFFFAOYSA-N
Compound name
4,5-dimethylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

230
Patents

112.1252 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.132476 126.4
[M+Na]+ 135.114418 132.7
[M-H]- 111.117924 126.7
[M+NH4]+ 130.159023 149.4
[M+K]+ 151.088358 132.5
[M+H-H2O]+ 95.122460 122.3
[M+HCOO]- 157.123401 147.8
[M+CH3COO]- 171.139051 174.2
[M+Na-2H]- 133.099866 130.2
[M]+ 112.12465142 126.5
[M]- 112.12574858 126.5
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