CID 89698

22408-96-4

Structural Information

Molecular Formula

C₁₆H₃₂O₇Si

SMILES

CCOC(=O)C(CCC[Si](OCC)(OCC)OCC)C(=O)OCC

InChI

InChI=1S/C16H32O7Si/c1-6-19-15(17)14(16(18)20-7-2)12-11-13-24(21-8-3,22-9-4)23-10-5/h14H,6-13H2,1-5H3

InChIKey

RKNYOHXRCRXQOS-UHFFFAOYSA-N

Compound name

diethyl 2-(3-triethoxysilylpropyl)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 364.19174 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	365.199016	187.2
[M+Na]+	387.180958	189.9
[M-H]-	363.184464	185.8
[M+NH4]+	382.225563	200.5
[M+K]+	403.154898	191.2
[M+H-H2O]+	347.189000	180.6
[M+HCOO]-	409.189941	204.7
[M+CH3COO]-	423.205591	213.8
[M+Na-2H]-	385.166406	186.3
[M]+	364.19119142	199.0
[M]-	364.19228858	199.0

Literature stripe

literature stripe

Patent stripe

patents stripe