CID 16684059

25168-21-2

Structural Information

Molecular Formula
C32H56O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OCCCCCC(C)C)(OC(=O)/C=C\C(=O)OCCCCCC(C)C)CCCC
InChI
InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*8-7-;;;
InChIKey
VLQWDCKTDZZUSU-KKUWAICFSA-L
Compound name
4-O-[dibutyl-[(Z)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(6-methylheptyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

380
Patents

688.29974 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.30702 249.4
[M+Na]+ 711.28896 251.0
[M+NH4]+ 706.33356 255.9
[M+K]+ 727.26290 251.0
[M-H]- 687.29246 244.0
[M+Na-2H]- 709.27441 252.0
[M]+ 688.29919 248.9
[M]- 688.30029 248.9
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