CID 16683170

Nsc633504

Structural Information

Molecular Formula
C16H27NO2Sn
SMILES
CCCC[Sn]1(OCC(CO1)C2=CC=CC=N2)CCCC
InChI
InChI=1S/C8H9NO2.2C4H9.Sn/c10-5-7(6-11)8-3-1-2-4-9-8;2*1-3-4-2;/h1-4,7H,5-6H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKey
KVBXIPIFNYDYIO-UHFFFAOYSA-N
Compound name
2-(2,2-dibutyl-1,3,2-dioxastanninan-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.10638 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11366 189.6
[M+Na]+ 408.09560 192.9
[M-H]- 384.09910 193.8
[M+NH4]+ 403.14020 202.1
[M+K]+ 424.06954 191.7
[M+H-H2O]+ 368.10364 179.8
[M+HCOO]- 430.10458 204.6
[M+CH3COO]- 444.12023 203.5
[M+Na-2H]- 406.08105 192.6
[M]+ 385.10583 190.5
[M]- 385.10693 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.