CID 131801567

2093935-86-3

Structural Information

Molecular Formula

C₇H₁₉NSSi

SMILES

C[Si](C)(C)CSCCCN

InChI

InChI=1S/C7H19NSSi/c1-10(2,3)7-9-6-4-5-8/h4-8H2,1-3H3

InChIKey

CNESDLLESCAVSR-UHFFFAOYSA-N

Compound name

3-(trimethylsilylmethylsulfanyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 177.10075 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]+	178.10803	140.2
[M+Na]+	200.08997	146.1
[M-H]-	176.09347	139.8
[M+NH4]+	195.13457	161.2
[M+K]+	216.06391	144.1
[M+H-H2O]+	160.09801	135.1
[M+HCOO]-	222.09895	156.5
[M+CH3COO]-	236.11460	181.7
[M+Na-2H]-	198.07542	142.3
[M]+	177.10020	141.9
[M]-	177.10130	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe