CID 155821802

2-(bromomethyl)spiro[3.4]octane

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CCC2(C1)CC(C2)CBr
InChI
InChI=1S/C9H15Br/c10-7-8-5-9(6-8)3-1-2-4-9/h8H,1-7H2
InChIKey
RBRYAVFUSNFFAZ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)spiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04298 132.1
[M+Na]+ 225.02492 141.1
[M-H]- 201.02842 140.1
[M+NH4]+ 220.06952 152.6
[M+K]+ 240.99886 133.7
[M+H-H2O]+ 185.03296 130.0
[M+HCOO]- 247.03390 151.0
[M+CH3COO]- 261.04955 184.4
[M+Na-2H]- 223.01037 138.9
[M]+ 202.03515 154.7
[M]- 202.03625 154.7
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

No patent data available for this compound.