CID 46741337

1-bromo-4-cyclopentylbutan-2-one

Structural Information

Molecular Formula
C9H15BrO
SMILES
C1CCC(C1)CCC(=O)CBr
InChI
InChI=1S/C9H15BrO/c10-7-9(11)6-5-8-3-1-2-4-8/h8H,1-7H2
InChIKey
VLWWDRCISXMLLG-UHFFFAOYSA-N
Compound name
1-bromo-4-cyclopentylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 148.2
[M+Na]+ 241.01984 157.1
[M-H]- 217.02334 153.5
[M+NH4]+ 236.06444 171.6
[M+K]+ 256.99378 147.0
[M+H-H2O]+ 201.02788 148.5
[M+HCOO]- 263.02882 167.5
[M+CH3COO]- 277.04447 184.7
[M+Na-2H]- 239.00529 151.6
[M]+ 218.03007 164.5
[M]- 218.03117 164.5
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

No patent data available for this compound.