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]+ 189.02735 137.3
[M+Na]+ 211.00929 149.4
[M-H]- 187.01279 144.9
[M+NH4]+ 206.05389 157.1
[M+K]+ 226.98323 138.7
[M+H-H2O]+ 171.01733 137.5
[M+HCOO]- 233.01827 155.7
[M+CH3COO]- 247.03392 184.7
[M+Na-2H]- 208.99474 145.1
[M]+ 188.01952 154.5
[M]- 188.02062 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.