CID 76225807

1-chloro-4,5-dimethylhex-3-ene

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]+ 147.09351 132.3
[M+Na]+ 169.07545 139.5
[M-H]- 145.07895 132.5
[M+NH4]+ 164.12005 154.9
[M+K]+ 185.04939 136.9
[M+H-H2O]+ 129.08349 129.0
[M+HCOO]- 191.08443 149.2
[M+CH3COO]- 205.10008 177.4
[M+Na-2H]- 167.06090 135.6
[M]+ 146.08568 134.1
[M]- 146.08678 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.