CID 138040915

3-(bromomethyl)cyclohept-1-ene

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CCC(C=CC1)CBr
InChI
InChI=1S/C8H13Br/c9-7-8-5-3-1-2-4-6-8/h3,5,8H,1-2,4,6-7H2
InChIKey
ZVIQQJZUCPIJEX-UHFFFAOYSA-N
Compound name
3-(bromomethyl)cycloheptene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 129.9
[M+Na]+ 211.009288 137.0
[M-H]- 187.012794 136.2
[M+NH4]+ 206.053893 151.3
[M+K]+ 226.983228 131.2
[M+H-H2O]+ 171.017330 131.2
[M+HCOO]- 233.018271 148.7
[M+CH3COO]- 247.033921 182.2
[M+Na-2H]- 208.994736 137.3
[M]+ 188.01952142 141.4
[M]- 188.02061858 141.4
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.