CID 12924594

3-(2-bromoethyl)cyclohex-1-ene

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC=CC(C1)CCBr
InChI
InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h2,4,8H,1,3,5-7H2
InChIKey
BMPOHJFJYIUBFV-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

188.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 135.4
[M+Na]+ 211.009288 144.6
[M-H]- 187.012794 141.0
[M+NH4]+ 206.053893 158.5
[M+K]+ 226.983228 134.4
[M+H-H2O]+ 171.017330 136.1
[M+HCOO]- 233.018271 155.0
[M+CH3COO]- 247.033921 180.0
[M+Na-2H]- 208.994736 143.1
[M]+ 188.01952142 150.9
[M]- 188.02061858 150.9
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

patents stripe