CID 44153218

83898-60-6

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 271.3
[M+Na]+ 739.32022 278.6
[M-H]- 715.32372 267.4
[M+NH4]+ 734.36482 283.0
[M+K]+ 755.29416 279.7
[M+H-H2O]+ 699.32826 271.9
[M+HCOO]- 761.32920 276.8
[M+CH3COO]- 775.34485 265.6
[M+Na-2H]- 737.30567 256.1
[M]+ 716.33045 271.3
[M]- 716.33155 271.3
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

patents stripe