CID 177798707

3-(2-bromoethyl)bicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1C(CC2C1C2)CCBr
InChI
InChI=1S/C8H13Br/c9-2-1-6-3-7-5-8(7)4-6/h6-8H,1-5H2
InChIKey
XKMLVIJLPNKQEN-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)bicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 139.2
[M+Na]+ 211.009288 152.5
[M-H]- 187.012794 147.0
[M+NH4]+ 206.053893 160.7
[M+K]+ 226.983228 141.3
[M+H-H2O]+ 171.017330 139.6
[M+HCOO]- 233.018271 159.4
[M+CH3COO]- 247.033921 184.5
[M+Na-2H]- 208.994736 145.7
[M]+ 188.01952142 158.2
[M]- 188.02061858 158.2
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.