CID 103439998

1-(bromomethyl)spiro[2.2]pentane

Structural Information

Molecular Formula
C6H9Br
SMILES
C1CC12CC2CBr
InChI
InChI=1S/C6H9Br/c7-4-5-3-6(5)1-2-6/h5H,1-4H2
InChIKey
DKEQLSWFBVKMOB-UHFFFAOYSA-N
Compound name
2-(bromomethyl)spiro[2.2]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 140.4
[M+Na]+ 182.97797 152.5
[M-H]- 158.98147 149.5
[M+NH4]+ 178.02257 155.3
[M+K]+ 198.95191 145.0
[M+H-H2O]+ 142.98601 140.9
[M+HCOO]- 204.98695 158.9
[M+CH3COO]- 219.00260 189.0
[M+Na-2H]- 180.96342 147.8
[M]+ 159.98820 158.9
[M]- 159.98930 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.