CID 16684205

Di-n-octyltin dimonobutylmaleate

Structural Information

Molecular Formula
C32H56O8Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCCCC)(OC(=O)/C=C\C(=O)OCCCC)CCCCCCCC
InChI
InChI=1S/2C8H12O4.2C8H17.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-5-7-8-6-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*5-4-;;;
InChIKey
GKOTWPKLOWTGAG-NRFIWDAESA-L
Compound name
4-O-[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-butyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

252
Patents

688.29974 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.30702 264.6
[M+Na]+ 711.28896 272.2
[M-H]- 687.29246 261.4
[M+NH4]+ 706.33356 276.3
[M+K]+ 727.26290 272.5
[M+H-H2O]+ 671.29700 265.4
[M+HCOO]- 733.29794 270.9
[M+CH3COO]- 747.31359 260.1
[M+Na-2H]- 709.27441 250.2
[M]+ 688.29919 264.5
[M]- 688.30029 264.5
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