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]+ 205.05864 147.0
[M+Na]+ 227.04058 155.7
[M-H]- 203.04408 152.4
[M+NH4]+ 222.08518 171.1
[M+K]+ 243.01452 145.7
[M+H-H2O]+ 187.04862 147.4
[M+HCOO]- 249.04956 165.9
[M+CH3COO]- 263.06521 183.8
[M+Na-2H]- 225.02603 150.4
[M]+ 204.05081 162.6
[M]- 204.05191 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.