CID 118718

Triethoxy(3-thiocyanatopropyl)silane

Structural Information

Molecular Formula

C₁₀H₂₁NO₃SSi

SMILES

CCO[Si](CCCSC#N)(OCC)OCC

InChI

InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3

InChIKey

HKMVWLQFAYGKSI-UHFFFAOYSA-N

Compound name

3-triethoxysilylpropyl thiocyanate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2288
Patents: 263.10114 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]+	264.10842	158.5
[M+Na]+	286.09036	165.7
[M-H]-	262.09386	159.3
[M+NH4]+	281.13496	174.9
[M+K]+	302.06430	165.5
[M+H-H2O]+	246.09840	146.4
[M+HCOO]-	308.09934	171.7
[M+CH3COO]-	322.11499	204.6
[M+Na-2H]-	284.07581	160.7
[M]+	263.10059	161.9
[M]-	263.10169	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe