CID 76225807

Refchem:431357

Structural Information

Molecular Formula
C8H15Cl
SMILES
CC(C)C(=CCCCl)C
InChI
InChI=1S/C8H15Cl/c1-7(2)8(3)5-4-6-9/h5,7H,4,6H2,1-3H3
InChIKey
CIOGGEGKAODRMP-UHFFFAOYSA-N
Compound name
1-chloro-4,5-dimethylhex-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.08623 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.093506 132.3
[M+Na]+ 169.075448 139.5
[M-H]- 145.078954 132.5
[M+NH4]+ 164.120053 154.9
[M+K]+ 185.049388 136.9
[M+H-H2O]+ 129.083490 129.0
[M+HCOO]- 191.084431 149.2
[M+CH3COO]- 205.100081 177.4
[M+Na-2H]- 167.060896 135.6
[M]+ 146.08568142 134.1
[M]- 146.08677858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.