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]+ 191.042976 137.7
[M+Na]+ 213.024918 148.9
[M-H]- 189.028424 144.0
[M+NH4]+ 208.069523 164.7
[M+K]+ 228.998858 138.9
[M+H-H2O]+ 173.032960 139.6
[M+HCOO]- 235.033901 158.1
[M+CH3COO]- 249.049551 180.8
[M+Na-2H]- 211.010366 143.6
[M]+ 190.03515142 154.4
[M]- 190.03624858 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.