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

4
Patents

189.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 137.0
[M+Na]+ 212.988548 147.9
[M-H]- 188.992054 143.0
[M+NH4]+ 208.033153 161.9
[M+K]+ 228.962488 137.9
[M+H-H2O]+ 172.996590 137.9
[M+HCOO]- 234.997531 158.0
[M+CH3COO]- 249.013181 179.3
[M+Na-2H]- 210.973996 142.2
[M]+ 189.99878142 153.7
[M]- 189.99987858 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