CID 167738023

3-(bromomethyl)bicyclo[3.1.1]heptane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1C2CC1CC(C2)CBr
InChI
InChI=1S/C8H13Br/c9-5-8-3-6-1-7(2-6)4-8/h6-8H,1-5H2
InChIKey
SQCAUBFXGVIXES-UHFFFAOYSA-N
Compound name
3-(bromomethyl)bicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 135.1
[M+Na]+ 211.009288 143.3
[M-H]- 187.012794 137.2
[M+NH4]+ 206.053893 156.3
[M+K]+ 226.983228 136.8
[M+H-H2O]+ 171.017330 133.1
[M+HCOO]- 233.018271 147.7
[M+CH3COO]- 247.033921 148.6
[M+Na-2H]- 208.994736 146.5
[M]+ 188.01952142 161.3
[M]- 188.02061858 161.3
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.