CID 4598885

2-(triisopropylsilyl)-1,3-dithiane

Structural Information

Molecular Formula

C₁₃H₂₈S₂Si

SMILES

CC(C)[Si](C1SCCCS1)(C(C)C)C(C)C

InChI

InChI=1S/C13H28S2Si/c1-10(2)16(11(3)4,12(5)6)13-14-8-7-9-15-13/h10-13H,7-9H2,1-6H3

InChIKey

RDHMCAVXJVTKDB-UHFFFAOYSA-N

Compound name

1,3-dithian-2-yl-tri(propan-2-yl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.14017 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]+	277.14745	162.1
[M+Na]+	299.12939	163.8
[M-H]-	275.13289	163.5
[M+NH4]+	294.17399	179.2
[M+K]+	315.10333	161.1
[M+H-H2O]+	259.13743	156.1
[M+HCOO]-	321.13837	165.0
[M+CH3COO]-	335.15402	199.0
[M+Na-2H]-	297.11484	157.4
[M]+	276.13962	160.5
[M]-	276.14072	160.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.