CID 80467970

3-(bromomethyl)bicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1C(CC2C1C2)CBr
InChI
InChI=1S/C7H11Br/c8-4-5-1-6-3-7(6)2-5/h5-7H,1-4H2
InChIKey
JKZAGFFHXDSOQV-UHFFFAOYSA-N
Compound name
3-(bromomethyl)bicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 125.7
[M+Na]+ 196.99363 129.2
[M+NH4]+ 192.03823 132.8
[M+K]+ 212.96757 131.3
[M-H]- 172.99713 132.1
[M+Na-2H]- 194.97908 130.1
[M]+ 174.00386 127.8
[M]- 174.00496 127.8
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.