CID 12625653

2-(bromomethyl)bicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC2CC1CC2CBr
InChI
InChI=1S/C8H13Br/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKey
CKZCOAFUOGZKIA-UHFFFAOYSA-N
Compound name
2-(bromomethyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

188.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 143.8
[M+Na]+ 211.00929 154.8
[M-H]- 187.01279 149.3
[M+NH4]+ 206.05389 172.0
[M+K]+ 226.98323 144.8
[M+H-H2O]+ 171.01733 145.5
[M+HCOO]- 233.01827 163.1
[M+CH3COO]- 247.03392 180.6
[M+Na-2H]- 208.99474 148.4
[M]+ 188.01952 159.9
[M]- 188.02062 159.9
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

patents stripe