CID 11252495

2-bromo-1-cyclopentylethanone

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1CCC(C1)C(=O)CBr
InChI
InChI=1S/C7H11BrO/c8-5-7(9)6-3-1-2-4-6/h6H,1-5H2
InChIKey
CIQIZFMMQXIJTI-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopentylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

189.99933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 138.6
[M+Na]+ 212.98855 139.1
[M+NH4]+ 208.03315 143.7
[M+K]+ 228.96249 140.8
[M-H]- 188.99205 138.2
[M+Na-2H]- 210.97400 139.7
[M]+ 189.99878 137.1
[M]- 189.99988 137.1
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