CID 371705

Nsc646154

Structural Information

Molecular Formula
C12H27O5PSi
SMILES
CCOC(=O)C(C[Si](C)(C)C)P(=O)(OCC)OCC
InChI
InChI=1S/C12H27O5PSi/c1-7-15-12(13)11(10-19(4,5)6)18(14,16-8-2)17-9-3/h11H,7-10H2,1-6H3
InChIKey
FPBZLSNYVGSOPR-UHFFFAOYSA-N
Compound name
ethyl 2-diethoxyphosphoryl-3-trimethylsilylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13654 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14382 175.5
[M+Na]+ 333.12576 180.3
[M-H]- 309.12926 174.0
[M+NH4]+ 328.17036 181.7
[M+K]+ 349.09970 181.2
[M+H-H2O]+ 293.13380 168.3
[M+HCOO]- 355.13474 192.0
[M+CH3COO]- 369.15039 205.2
[M+Na-2H]- 331.11121 175.5
[M]+ 310.13599 184.8
[M]- 310.13709 184.8
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.