CID 139594274

Ns00059835

Structural Information

Molecular Formula
C62H110O12Sn
SMILES
CCCCCCCCCCCCCCOC(=O)C=CC(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)CCCCCCCC
InChI
InChI=1S/3C18H32O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-5-7-8-6-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-8H2,2H3;/q;;;;+3/p-3/b2*15-14-;;;
InChIKey
AYYTVQVILHVSJM-POUCYOBESA-K
Compound name
4-O-[octyl-bis[[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxy]stannyl] 1-O-tetradecyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1166.7019 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1167.709176 364.5
[M+Na]+ 1189.691118 368.0
[M-H]- 1165.694624 358.2
[M+NH4]+ 1184.735723 383.1
[M+K]+ 1205.665058 379.5
[M+H-H2O]+ 1149.699160 364.5
[M+HCOO]- 1211.700101 356.6
[M+CH3COO]- 1225.715751 338.5
[M+Na-2H]- 1187.676566 340.2
[M]+ 1166.70135142 371.4
[M]- 1166.70244858 371.4
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.