CID 66911718

3-(2-bromoethyl)-1,1-dimethylcyclopentane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC1(CCC(C1)CCBr)C
InChI
InChI=1S/C9H17Br/c1-9(2)5-3-8(7-9)4-6-10/h8H,3-7H2,1-2H3
InChIKey
LESCXPDVZDPIMQ-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1,1-dimethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

204.05136 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 142.3
[M+Na]+ 227.04058 153.1
[M-H]- 203.04408 148.4
[M+NH4]+ 222.08518 168.8
[M+K]+ 243.01452 142.8
[M+H-H2O]+ 187.04862 144.0
[M+HCOO]- 249.04956 162.3
[M+CH3COO]- 263.06521 183.6
[M+Na-2H]- 225.02603 147.7
[M]+ 204.05081 159.4
[M]- 204.05191 159.4
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

patents stripe