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

1
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

patents stripe