CID 13296841

5-chloro-5-methylhex-1-ene

Structural Information

Molecular Formula
C7H13Cl
SMILES
CC(C)(CCC=C)Cl
InChI
InChI=1S/C7H13Cl/c1-4-5-6-7(2,3)8/h4H,1,5-6H2,2-3H3
InChIKey
YIKVYDFXAMIGHB-UHFFFAOYSA-N
Compound name
5-chloro-5-methylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

132.07057 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07785 127.3
[M+Na]+ 155.05979 135.7
[M-H]- 131.06329 127.7
[M+NH4]+ 150.10439 150.5
[M+K]+ 171.03373 132.9
[M+H-H2O]+ 115.06783 124.6
[M+HCOO]- 177.06877 144.9
[M+CH3COO]- 191.08442 173.7
[M+Na-2H]- 153.04524 134.2
[M]+ 132.07002 129.5
[M]- 132.07112 129.5
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