CID 95134

Phosphonic acid, piperidino-, dimethyl ester

Structural Information

Molecular Formula
C7H16NO3P
SMILES
COP(=O)(N1CCCCC1)OC
InChI
InChI=1S/C7H16NO3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H2,1-2H3
InChIKey
FOTZMBINJVWKKT-UHFFFAOYSA-N
Compound name
1-dimethoxyphosphorylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08678 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09406 143.3
[M+Na]+ 216.07600 148.4
[M-H]- 192.07950 143.5
[M+NH4]+ 211.12060 161.7
[M+K]+ 232.04994 148.8
[M+H-H2O]+ 176.08404 134.8
[M+HCOO]- 238.08498 167.2
[M+CH3COO]- 252.10063 181.6
[M+Na-2H]- 214.06145 146.5
[M]+ 193.08623 143.3
[M]- 193.08733 143.3
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.