CID 64672171

(3-bromo-2-methylpropyl)cyclopentane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC(CC1CCCC1)CBr
InChI
InChI=1S/C9H17Br/c1-8(7-10)6-9-4-2-3-5-9/h8-9H,2-7H2,1H3
InChIKey
HPDLHUGSDQKNMV-UHFFFAOYSA-N
Compound name
(3-bromo-2-methylpropyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 147.0
[M+Na]+ 227.040578 155.7
[M-H]- 203.044084 152.4
[M+NH4]+ 222.085183 171.1
[M+K]+ 243.014518 145.7
[M+H-H2O]+ 187.048620 147.4
[M+HCOO]- 249.049561 165.9
[M+CH3COO]- 263.065211 183.8
[M+Na-2H]- 225.026026 150.4
[M]+ 204.05081142 162.6
[M]- 204.05190858 162.6
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.