CID 139597770

Ns00061258

Structural Information

Molecular Formula
C50H86O12Sn
SMILES
CCCCCCCCCCOC(=O)C=CC(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCC)CCCCCCCC
InChI
InChI=1S/3C14H24O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-5-7-8-6-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-8H2,2H3;/q;;;;+3/p-3/b2*11-10-;;;
InChIKey
WYCQKSNEDKVREM-YFQJWWFYSA-K
Compound name
4-O-[bis[[(Z)-4-decoxy-4-oxobut-2-enoyl]oxy]-octylstannyl] 1-O-decyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

998.51416 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 999.521436 331.0
[M+Na]+ 1021.503378 336.3
[M-H]- 997.506884 329.0
[M+NH4]+ 1016.547983 349.5
[M+K]+ 1037.477318 343.0
[M+H-H2O]+ 981.511420 331.8
[M+HCOO]- 1043.512361 327.4
[M+CH3COO]- 1057.528011 310.8
[M+Na-2H]- 1019.488826 310.5
[M]+ 998.51361142 335.1
[M]- 998.51470858 335.1
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.