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 137.7
[M+Na]+ 213.02492 148.9
[M-H]- 189.02842 144.0
[M+NH4]+ 208.06952 164.7
[M+K]+ 228.99886 138.9
[M+H-H2O]+ 173.03296 139.6
[M+HCOO]- 235.03390 158.1
[M+CH3COO]- 249.04955 180.8
[M+Na-2H]- 211.01037 143.6
[M]+ 190.03515 154.4
[M]- 190.03625 154.4
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.