CID 12718889

30860-66-3

Structural Information

Molecular Formula

C₁₇H₃₁NOSSn

SMILES

CCCC[Sn](CCCC)(CCCC)SC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C5H5NOS.3C4H9.Sn/c7-6-4-2-1-3-5(6)8;3*1-3-4-2;/h1-4,8H;3*1,3-4H2,2H3;/q;;;;+1/p-1

InChIKey

IZLTYRKHPKGVOT-UHFFFAOYSA-M

Compound name

tributyl-(1-oxidopyridin-1-ium-2-yl)sulfanylstannane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 417.11484 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]+	418.122116	199.9
[M+Na]+	440.104058	203.3
[M-H]-	416.107564	198.9
[M+NH4]+	435.148663	212.2
[M+K]+	456.077998	193.0
[M+H-H2O]+	400.112100	195.9
[M+HCOO]-	462.113041	211.6
[M+CH3COO]-	476.128691	203.0
[M+Na-2H]-	438.089506	199.6
[M]+	417.11429142	202.7
[M]-	417.11538858	202.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe