CID 12658866

3-(2-bromoethyl)cyclopent-1-ene

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC(C=C1)CCBr
InChI
InChI=1S/C7H11Br/c8-6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2
InChIKey
KFWJYXNSDXNDIQ-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)cyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

174.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 134.0
[M+Na]+ 196.993628 144.8
[M-H]- 172.997134 140.0
[M+NH4]+ 192.038233 159.4
[M+K]+ 212.967568 134.8
[M+H-H2O]+ 157.001670 134.9
[M+HCOO]- 219.002611 156.0
[M+CH3COO]- 233.018261 177.1
[M+Na-2H]- 194.979076 140.8
[M]+ 174.00386142 151.0
[M]- 174.00495858 151.0
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