CID 18324003

(1-bromoethyl)cyclopentane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC(C1CCCC1)Br
InChI
InChI=1S/C7H13Br/c1-6(8)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKey
AVDASXICTKXEII-UHFFFAOYSA-N
Compound name
1-bromoethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 137.7
[M+Na]+ 199.00929 147.2
[M-H]- 175.01279 143.4
[M+NH4]+ 194.05389 162.8
[M+K]+ 214.98323 137.7
[M+H-H2O]+ 159.01733 138.5
[M+HCOO]- 221.01827 157.2
[M+CH3COO]- 235.03392 178.2
[M+Na-2H]- 196.99474 142.1
[M]+ 176.01952 152.6
[M]- 176.02062 152.6
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