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]+ 203.042976 132.1
[M+Na]+ 225.024918 141.1
[M-H]- 201.028424 140.1
[M+NH4]+ 220.069523 152.6
[M+K]+ 240.998858 133.7
[M+H-H2O]+ 185.032960 130.0
[M+HCOO]- 247.033901 151.0
[M+CH3COO]- 261.049551 184.4
[M+Na-2H]- 223.010366 138.9
[M]+ 202.03515142 154.7
[M]- 202.03624858 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.