CID 16684595

Dioctyltin bis(propylene glycol maleate)

Structural Information

Molecular Formula
C27H44O8Sn
SMILES
CCCCCCCC[Sn]1(OC(=O)/C=C\C(=O)OCC(OC(=O)/C=C\C(=O)O1)C)CCCCCCCC
InChI
InChI=1S/C11H12O8.2C8H17.Sn/c1-7(19-11(17)5-3-9(14)15)6-18-10(16)4-2-8(12)13;2*1-3-5-7-8-6-4-2;/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15);2*1,3-8H2,2H3;/q;;;+2/p-2/b4-2-,5-3-;;;
InChIKey
BEKFWMJKBILDPZ-OVPSBQCKSA-L
Compound name
(5Z,13Z)-9-methyl-2,2-dioctyl-1,3,8,11-tetraoxa-2-stannacyclopentadeca-5,13-diene-4,7,12,15-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.2058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.21308 244.4
[M+Na]+ 639.19502 246.6
[M-H]- 615.19852 246.9
[M+NH4]+ 634.23962 243.9
[M+K]+ 655.16896 247.7
[M+H-H2O]+ 599.20306 240.0
[M+HCOO]- 661.20400 254.5
[M+CH3COO]- 675.21965 241.8
[M+Na-2H]- 637.18047 240.4
[M]+ 616.20525 251.2
[M]- 616.20635 251.2
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.