CID 15257759

1112-29-4

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 185.8
[M+Na]+ 397.11517 195.4
[M+NH4]+ 392.15977 200.2
[M+K]+ 413.08911 191.4
[M-H]- 373.11867 187.6
[M+Na-2H]- 395.10062 199.3
[M]+ 374.12540 192.0
[M]- 374.12650 192.0
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