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

26
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 143.8
[M+Na]+ 211.009288 154.8
[M-H]- 187.012794 149.3
[M+NH4]+ 206.053893 172.0
[M+K]+ 226.983228 144.8
[M+H-H2O]+ 171.017330 145.5
[M+HCOO]- 233.018271 163.1
[M+CH3COO]- 247.033921 180.6
[M+Na-2H]- 208.994736 148.4
[M]+ 188.01952142 159.9
[M]- 188.02061858 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