CID 145912974

Rac-(1r,5s)-1-(2-bromoethyl)bicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1C[C@@H]2C[C@@]2(C1)CCBr
InChI
InChI=1S/C8H13Br/c9-5-4-8-3-1-2-7(8)6-8/h7H,1-6H2/t7-,8-/m1/s1
InChIKey
ATJLOGUYHHJDHC-HTQZYQBOSA-N
Compound name
(1S,5R)-1-(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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 139.4
[M+Na]+ 211.00929 152.5
[M-H]- 187.01279 147.2
[M+NH4]+ 206.05389 162.4
[M+K]+ 226.98323 142.1
[M+H-H2O]+ 171.01733 140.7
[M+HCOO]- 233.01827 159.3
[M+CH3COO]- 247.03392 183.2
[M+Na-2H]- 208.99474 147.4
[M]+ 188.01952 158.6
[M]- 188.02062 158.6
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.