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

16
Patents

204.05136 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 142.3
[M+Na]+ 227.040578 153.1
[M-H]- 203.044084 148.4
[M+NH4]+ 222.085183 168.8
[M+K]+ 243.014518 142.8
[M+H-H2O]+ 187.048620 144.0
[M+HCOO]- 249.049561 162.3
[M+CH3COO]- 263.065211 183.6
[M+Na-2H]- 225.026026 147.7
[M]+ 204.05081142 159.4
[M]- 204.05190858 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