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

264
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 232.2
[M+Na]+ 503.40707 239.3
[M-H]- 479.41057 219.3
[M+NH4]+ 498.45167 234.5
[M+K]+ 519.38101 237.5
[M+H-H2O]+ 463.41511 233.5
[M+HCOO]- 525.41605 241.2
[M+CH3COO]- 539.43170 243.0
[M+Na-2H]- 501.39252 219.4
[M]+ 480.41730 233.1
[M]- 480.41840 233.1
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

patents stripe