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 135.8
[M+Na]+ 182.97797 128.9
[M+NH4]+ 178.02257 134.3
[M+K]+ 198.95191 131.4
[M-H]- 158.98147 129.7
[M+Na-2H]- 180.96342 131.9
[M]+ 159.98820 130.0
[M]- 159.98930 130.0
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