CID 139595788

Ns00061283

Structural Information

Molecular Formula
C60H106O12Sn
SMILES
CCCCCCCCCCCCOC(=O)C=CC(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCCCC)CCCCCCCCCCCC
InChI
InChI=1S/3C16H28O4.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-3-5-7-9-11-12-10-8-6-4-2;/h3*12-13H,2-11,14H2,1H3,(H,17,18);1,3-12H2,2H3;/q;;;;+3/p-3/b2*13-12-;;;
InChIKey
KNRQSUKKMORALU-NUJFUEHTSA-K
Compound name
4-O-[bis[[(Z)-4-dodecoxy-4-oxobut-2-enoyl]oxy]-dodecylstannyl] 1-O-dodecyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1138.6707 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1139.677976 359.2
[M+Na]+ 1161.659918 362.9
[M-H]- 1137.663424 353.5
[M+NH4]+ 1156.704523 377.7
[M+K]+ 1177.633858 373.6
[M+H-H2O]+ 1121.667960 359.3
[M+HCOO]- 1183.668901 351.9
[M+CH3COO]- 1197.684551 334.1
[M+Na-2H]- 1159.645366 335.4
[M]+ 1138.67015142 365.5
[M]- 1138.67124858 365.5
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

No patent data available for this compound.