CID 15257759

Ethyl 3,3-bis(diethoxyphosphoryl)propanoate

Structural Information

Molecular Formula
C13H28O8P2
SMILES
CCOC(=O)CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChI
InChI=1S/C13H28O8P2/c1-6-17-12(14)11-13(22(15,18-7-2)19-8-3)23(16,20-9-4)21-10-5/h13H,6-11H2,1-5H3
InChIKey
ZTCYNURFGOPDSN-UHFFFAOYSA-N
Compound name
ethyl 3,3-bis(diethoxyphosphoryl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

374.12595 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13323 191.5
[M+Na]+ 397.11517 197.1
[M-H]- 373.11867 190.8
[M+NH4]+ 392.15977 200.9
[M+K]+ 413.08911 189.5
[M+H-H2O]+ 357.12321 178.4
[M+HCOO]- 419.12415 209.2
[M+CH3COO]- 433.13980 217.4
[M+Na-2H]- 395.10062 180.0
[M]+ 374.12540 192.4
[M]- 374.12650 192.4
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

patents stripe