CID 80698632

3-(bromomethyl)-1,1-dimethylcyclopentane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC1(CCC(C1)CBr)C
InChI
InChI=1S/C8H15Br/c1-8(2)4-3-7(5-8)6-9/h7H,3-6H2,1-2H3
InChIKey
ATEDJXHLHWSRIQ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,1-dimethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0357 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 141.3
[M+Na]+ 213.02492 142.8
[M+NH4]+ 208.06952 148.4
[M+K]+ 228.99886 141.9
[M-H]- 189.02842 141.9
[M+Na-2H]- 211.01037 144.1
[M]+ 190.03515 140.6
[M]- 190.03625 140.6
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.