CID 122163276

3-(bromomethyl)bicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC2CC2CC1CBr
InChI
InChI=1S/C8H13Br/c9-5-6-1-2-7-4-8(7)3-6/h6-8H,1-5H2
InChIKey
FIQSEPYBWIUITF-UHFFFAOYSA-N
Compound name
3-(bromomethyl)bicyclo[4.1.0]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 137.3
[M+Na]+ 211.009288 149.4
[M-H]- 187.012794 144.9
[M+NH4]+ 206.053893 157.1
[M+K]+ 226.983228 138.7
[M+H-H2O]+ 171.017330 137.5
[M+HCOO]- 233.018271 155.7
[M+CH3COO]- 247.033921 184.7
[M+Na-2H]- 208.994736 145.1
[M]+ 188.01952142 154.5
[M]- 188.02061858 154.5
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.