CID 137945327

3-(dimethylphosphoryl)cyclohexan-1-one

Structural Information

Molecular Formula
C8H15O2P
SMILES
CP(=O)(C)C1CCCC(=O)C1
InChI
InChI=1S/C8H15O2P/c1-11(2,10)8-5-3-4-7(9)6-8/h8H,3-6H2,1-2H3
InChIKey
SHFCWVCCKUYXRQ-UHFFFAOYSA-N
Compound name
3-dimethylphosphorylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.08096 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08824 138.2
[M+Na]+ 197.07018 144.4
[M-H]- 173.07368 140.2
[M+NH4]+ 192.11478 159.1
[M+K]+ 213.04412 143.5
[M+H-H2O]+ 157.07822 131.3
[M+HCOO]- 219.07916 163.2
[M+CH3COO]- 233.09481 180.1
[M+Na-2H]- 195.05563 140.3
[M]+ 174.08041 136.5
[M]- 174.08151 136.5
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.