CID 75297

Trimethylsilyl isothiocyanate

Structural Information

Molecular Formula

SMILES

C[Si](C)(C)N=C=S

InChI

InChI=1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3

InChIKey

XLTUPERVRFLGLJ-UHFFFAOYSA-N

Compound name

isothiocyanato(trimethyl)silane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 957
Patents: 131.02249 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]+	132.02977	123.7
[M+Na]+	154.01171	132.0
[M-H]-	130.01521	126.0
[M+NH4]+	149.05631	147.5
[M+K]+	169.98565	131.0
[M+H-H2O]+	114.01975	119.1
[M+HCOO]-	176.02069	143.5
[M+CH3COO]-	190.03634	173.4
[M+Na-2H]-	151.99716	128.8
[M]+	131.02194	125.7
[M]-	131.02304	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe