CID 6437427

Ditridecyl maleate

Structural Information

Molecular Formula
C30H56O4
SMILES
CCCCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCCCCC
InChI
InChI=1S/C30H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24,27-28H2,1-2H3/b26-25-
InChIKey
DFKBFBPHOGVNGQ-QPLCGJKRSA-N
Compound name
ditridecyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

246
Patents

480.41785 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.42513 234.5
[M+Na]+ 503.40707 236.0
[M+NH4]+ 498.45167 234.7
[M+K]+ 519.38101 234.4
[M-H]- 479.41057 220.4
[M+Na-2H]- 501.39252 235.3
[M]+ 480.41730 230.7
[M]- 480.41840 230.7
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