CID 10330181

56068-49-6

Structural Information

Molecular Formula
C8H15Br
SMILES
CC(C)(CCC=C)CBr
InChI
InChI=1S/C8H15Br/c1-4-5-6-8(2,3)7-9/h4H,1,5-7H2,2-3H3
InChIKey
LCLCJSIYMUMAFJ-UHFFFAOYSA-N
Compound name
6-bromo-5,5-dimethylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.0357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 138.0
[M+Na]+ 213.02492 148.8
[M-H]- 189.02842 141.1
[M+NH4]+ 208.06952 161.5
[M+K]+ 228.99886 138.0
[M+H-H2O]+ 173.03296 139.3
[M+HCOO]- 235.03390 157.4
[M+CH3COO]- 249.04955 183.4
[M+Na-2H]- 211.01037 145.6
[M]+ 190.03515 157.2
[M]- 190.03625 157.2
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