CID 15151436

1-(bromomethyl)bicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC2(CCC1C2)CBr
InChI
InChI=1S/C8H13Br/c9-6-8-3-1-7(5-8)2-4-8/h7H,1-6H2
InChIKey
AWCGALZJVRGRBZ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 142.9
[M+Na]+ 211.009288 154.0
[M-H]- 187.012794 148.5
[M+NH4]+ 206.053893 172.7
[M+K]+ 226.983228 143.9
[M+H-H2O]+ 171.017330 145.1
[M+HCOO]- 233.018271 162.4
[M+CH3COO]- 247.033921 158.3
[M+Na-2H]- 208.994736 149.2
[M]+ 188.01952142 159.2
[M]- 188.02061858 159.2
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