CID 137945425

3-(dimethylphosphoryl)cyclopentan-1-one

Structural Information

Molecular Formula
C7H13O2P
SMILES
CP(=O)(C)C1CCC(=O)C1
InChI
InChI=1S/C7H13O2P/c1-10(2,9)7-4-3-6(8)5-7/h7H,3-5H2,1-2H3
InChIKey
KIMOWADNXXFLFX-UHFFFAOYSA-N
Compound name
3-dimethylphosphorylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06532 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07260 134.3
[M+Na]+ 183.05454 141.7
[M-H]- 159.05804 136.7
[M+NH4]+ 178.09914 157.5
[M+K]+ 199.02848 141.0
[M+H-H2O]+ 143.06258 127.9
[M+HCOO]- 205.06352 161.6
[M+CH3COO]- 219.07917 176.7
[M+Na-2H]- 181.03999 135.9
[M]+ 160.06477 134.1
[M]- 160.06587 134.1
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.