CID 44153218

Einecs 281-271-4

Structural Information

Molecular Formula
C34H60O8Sn
SMILES
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)CCCCCCCCCCCC
InChI
InChI=1S/2C12H25.2C5H6O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-9-5(8)3-2-4(6)7;/h2*1,3-12H2,2H3;2*2-3H,1H3,(H,6,7);/q;;;;+2/p-2/b;;2*3-2-;
InChIKey
NBXFNQNEQSOVMD-KYQHOYOTSA-L
Compound name
4-O-[didodecyl-[(Z)-4-methoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-methyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

716.331 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.33828 256.1
[M+Na]+ 739.32022 257.6
[M+NH4]+ 734.36482 260.9
[M+K]+ 755.29416 257.7
[M-H]- 715.32372 247.6
[M+Na-2H]- 737.30567 257.3
[M]+ 716.33045 254.7
[M]- 716.33155 254.7
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.