CID 87376

Propanedioic acid, [(trimethylsilyl)methyl]-, diethyl ester

Structural Information

Molecular Formula
C11H22O4Si
SMILES
CCOC(=O)C(C[Si](C)(C)C)C(=O)OCC
InChI
InChI=1S/C11H22O4Si/c1-6-14-10(12)9(8-16(3,4)5)11(13)15-7-2/h9H,6-8H2,1-5H3
InChIKey
ZEOGFXACYDZIKN-UHFFFAOYSA-N
Compound name
diethyl 2-(trimethylsilylmethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

246.12874 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13602 156.5
[M+Na]+ 269.11796 161.7
[M-H]- 245.12146 156.3
[M+NH4]+ 264.16256 174.7
[M+K]+ 285.09190 162.5
[M+H-H2O]+ 229.12600 151.6
[M+HCOO]- 291.12694 175.2
[M+CH3COO]- 305.14259 193.0
[M+Na-2H]- 267.10341 157.7
[M]+ 246.12819 162.0
[M]- 246.12929 162.0
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