CID 16684123

60494-19-1

Structural Information

Molecular Formula
C26H44O8Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)CCCCCCCC
InChI
InChI=1S/2C8H17.2C5H6O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-9-5(8)3-2-4(6)7;/h2*1,3-8H2,2H3;2*2-3H,1H3,(H,6,7);/q;;;;+2/p-2/b;;2*3-2-;
InChIKey
UAYQUQDGJRIIMK-KYQHOYOTSA-L
Compound name
4-O-[[(Z)-4-methoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-methyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

604.2058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.213076 243.9
[M+Na]+ 627.195018 252.6
[M-H]- 603.198524 242.9
[M+NH4]+ 622.239623 255.7
[M+K]+ 643.168958 250.3
[M+H-H2O]+ 587.203060 245.4
[M+HCOO]- 649.204001 252.6
[M+CH3COO]- 663.219651 243.4
[M+Na-2H]- 625.180466 232.1
[M]+ 604.20525142 243.9
[M]- 604.20634858 243.9
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

patents stripe