CID 16683131

Einecs 269-443-7

Structural Information

Molecular Formula
C14H27NO5Sn
SMILES
CCCC[Sn]1(OC(=O)CN(CC(=O)O1)CCO)CCCC
InChI
InChI=1S/C6H11NO5.2C4H9.Sn/c8-2-1-7(3-5(9)10)4-6(11)12;2*1-3-4-2;/h8H,1-4H2,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
VCLJYKDNLQXFRL-UHFFFAOYSA-L
Compound name
2,2-dibutyl-6-(2-hydroxyethyl)-1,3,6,2-dioxazastannocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

409.09113 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.09841 178.8
[M+Na]+ 432.08035 182.6
[M-H]- 408.08385 179.2
[M+NH4]+ 427.12495 184.1
[M+K]+ 448.05429 183.2
[M+H-H2O]+ 392.08839 174.3
[M+HCOO]- 454.08933 184.6
[M+CH3COO]- 468.10498 232.2
[M+Na-2H]- 430.06580 176.5
[M]+ 409.09058 180.2
[M]- 409.09168 180.2
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.