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

19
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 142.9
[M+Na]+ 211.00929 154.0
[M-H]- 187.01279 148.5
[M+NH4]+ 206.05389 172.7
[M+K]+ 226.98323 143.9
[M+H-H2O]+ 171.01733 145.1
[M+HCOO]- 233.01827 162.4
[M+CH3COO]- 247.03392 158.3
[M+Na-2H]- 208.99474 149.2
[M]+ 188.01952 159.2
[M]- 188.02062 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