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]+ 189.02735 129.9
[M+Na]+ 211.00929 137.0
[M-H]- 187.01279 136.2
[M+NH4]+ 206.05389 151.3
[M+K]+ 226.98323 131.2
[M+H-H2O]+ 171.01733 131.2
[M+HCOO]- 233.01827 148.7
[M+CH3COO]- 247.03392 182.2
[M+Na-2H]- 208.99474 137.3
[M]+ 188.01952 141.4
[M]- 188.02062 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.