CID 155977697

6-(bromomethyl)bicyclo[3.2.0]heptane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC2CC(C2C1)CBr
InChI
InChI=1S/C8H13Br/c9-5-7-4-6-2-1-3-8(6)7/h6-8H,1-5H2
InChIKey
XWWPXHZSDSNMSR-UHFFFAOYSA-N
Compound name
6-(bromomethyl)bicyclo[3.2.0]heptane
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 128.4
[M+Na]+ 211.009288 138.1
[M-H]- 187.012794 135.3
[M+NH4]+ 206.053893 148.5
[M+K]+ 226.983228 130.9
[M+H-H2O]+ 171.017330 125.7
[M+HCOO]- 233.018271 147.3
[M+CH3COO]- 247.033921 184.2
[M+Na-2H]- 208.994736 135.0
[M]+ 188.01952142 152.2
[M]- 188.02061858 152.2
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.