CID 91800902

1-(bromomethyl)bicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C6H9Br
SMILES
C1C2CC1(C2)CBr
InChI
InChI=1S/C6H9Br/c7-4-6-1-5(2-6)3-6/h5H,1-4H2
InChIKey
ASZCSSCMSDFJJR-UHFFFAOYSA-N
Compound name
1-(bromomethyl)bicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

159.98875 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 119.7
[M+Na]+ 182.97797 127.5
[M-H]- 158.98147 125.5
[M+NH4]+ 178.02257 129.0
[M+K]+ 198.95191 126.8
[M+H-H2O]+ 142.98601 112.8
[M+HCOO]- 204.98695 133.2
[M+CH3COO]- 219.00260 205.2
[M+Na-2H]- 180.96342 130.4
[M]+ 159.98820 156.1
[M]- 159.98930 156.1
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