CID 139022629

5-(bromomethyl)spiro[2.5]octane

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CC(CC2(C1)CC2)CBr
InChI
InChI=1S/C9H15Br/c10-7-8-2-1-3-9(6-8)4-5-9/h8H,1-7H2
InChIKey
ZADUMIRJHNHCGP-UHFFFAOYSA-N
Compound name
7-(bromomethyl)spiro[2.5]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 141.5
[M+Na]+ 225.02492 152.7
[M-H]- 201.02842 150.2
[M+NH4]+ 220.06952 161.7
[M+K]+ 240.99886 143.0
[M+H-H2O]+ 185.03296 142.3
[M+HCOO]- 247.03390 159.7
[M+CH3COO]- 261.04955 184.9
[M+Na-2H]- 223.01037 149.4
[M]+ 202.03515 157.5
[M]- 202.03625 157.5
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.