CID 16683132

Nsc628567

Structural Information

Molecular Formula
C22H43NO5Sn
SMILES
CCCCCCCC[Sn]1(OC(=O)CN(CC(=O)O1)CCO)CCCCCCCC
InChI
InChI=1S/2C8H17.C6H11NO5.Sn/c2*1-3-5-7-8-6-4-2;8-2-1-7(3-5(9)10)4-6(11)12;/h2*1,3-8H2,2H3;8H,1-4H2,(H,9,10)(H,11,12);/q;;;+2/p-2
InChIKey
QMIGJPMXEWEZKP-UHFFFAOYSA-L
Compound name
6-(2-hydroxyethyl)-2,2-dioctyl-1,3,6,2-dioxazastannocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.2163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.22358 196.2
[M+Na]+ 544.20552 198.5
[M-H]- 520.20902 195.9
[M+NH4]+ 539.25012 199.5
[M+K]+ 560.17946 198.3
[M+H-H2O]+ 504.21356 191.1
[M+HCOO]- 566.21450 200.8
[M+CH3COO]- 580.23015 242.3
[M+Na-2H]- 542.19097 191.9
[M]+ 521.21575 198.7
[M]- 521.21685 198.7
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.