CID 12711948

(2-bromoethyl)cyclopentane

Structural Information

Molecular Formula
C7H13Br
SMILES
C1CCC(C1)CCBr
InChI
InChI=1S/C7H13Br/c8-6-5-7-3-1-2-4-7/h7H,1-6H2
InChIKey
GYZRFKCNMIPTEI-UHFFFAOYSA-N
Compound name
2-bromoethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

754
Patents

176.02007 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 136.7
[M+Na]+ 199.009288 146.5
[M-H]- 175.012794 142.3
[M+NH4]+ 194.053893 161.9
[M+K]+ 214.983228 136.7
[M+H-H2O]+ 159.017330 137.5
[M+HCOO]- 221.018271 157.2
[M+CH3COO]- 235.033921 177.4
[M+Na-2H]- 196.994736 142.4
[M]+ 176.01952142 152.3
[M]- 176.02061858 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe