CID 44147385

Einecs 281-731-4

Structural Information

Molecular Formula
C44H74O12Sn
SMILES
CCCCCCCC[Sn](OC(=O)C=CC(=O)OCCCCCC(C)C)(OC(=O)C=CC(=O)OCCCCCC(C)C)OC(=O)C=CC(=O)OCCCCCC(C)C
InChI
InChI=1S/3C12H20O4.C8H17.Sn/c3*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;1-3-5-7-8-6-4-2;/h3*7-8,10H,3-6,9H2,1-2H3,(H,13,14);1,3-8H2,2H3;/q;;;;+3/p-3
InChIKey
GNKIKVNIJGTIGD-UHFFFAOYSA-K
Compound name
4-O-[bis[[4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxy]-octylstannyl] 1-O-(6-methylheptyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

914.4202 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 915.42748 311.5
[M+Na]+ 937.40942 319.2
[M-H]- 913.41292 316.0
[M+NH4]+ 932.45402 334.7
[M+K]+ 953.38336 325.2
[M+H-H2O]+ 897.41746 314.5
[M+HCOO]- 959.41840 303.0
[M+CH3COO]- 973.43405 297.6
[M+Na-2H]- 935.39487 295.3
[M]+ 914.41965 315.9
[M]- 914.42075 315.9
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

No patent data available for this compound.