CID 16683131

68239-46-3

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 171.1
[M+Na]+ 432.08035 173.6
[M+NH4]+ 427.12495 172.7
[M+K]+ 448.05429 172.0
[M-H]- 408.08385 171.2
[M+Na-2H]- 430.06580 171.5
[M]+ 409.09058 171.3
[M]- 409.09168 171.3
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.