CID 14968965

2-(2-bromoethyl)cyclopentan-1-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1CC(C(=O)C1)CCBr
InChI
InChI=1S/C7H11BrO/c8-5-4-6-2-1-3-7(6)9/h6H,1-5H2
InChIKey
YVJLOYLDTKXDTK-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 137.0
[M+Na]+ 212.98855 147.9
[M-H]- 188.99205 143.0
[M+NH4]+ 208.03315 161.9
[M+K]+ 228.96249 137.9
[M+H-H2O]+ 172.99659 137.9
[M+HCOO]- 234.99753 158.0
[M+CH3COO]- 249.01318 179.3
[M+Na-2H]- 210.97400 142.2
[M]+ 189.99878 153.7
[M]- 189.99988 153.7
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