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
2
Annotation Hits

0
References

2
Patents

604.2058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.21308 243.9
[M+Na]+ 627.19502 252.6
[M-H]- 603.19852 242.9
[M+NH4]+ 622.23962 255.7
[M+K]+ 643.16896 250.3
[M+H-H2O]+ 587.20306 245.4
[M+HCOO]- 649.20400 252.6
[M+CH3COO]- 663.21965 243.4
[M+Na-2H]- 625.18047 232.1
[M]+ 604.20525 243.9
[M]- 604.20635 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