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]+ 175.011686 134.8
[M+Na]+ 196.993628 148.5
[M-H]- 172.997134 142.8
[M+NH4]+ 192.038233 156.9
[M+K]+ 212.967568 137.5
[M+H-H2O]+ 157.001670 135.5
[M+HCOO]- 219.002611 155.3
[M+CH3COO]- 233.018261 181.8
[M+Na-2H]- 194.979076 141.8
[M]+ 174.00386142 153.5
[M]- 174.00495858 153.5
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.