CID 103846

Diisotridecyl maleate

Structural Information

Molecular Formula
C30H56O4
SMILES
CC(C)CCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C30H56O4/c1-27(2)21-17-13-9-5-7-11-15-19-25-33-29(31)23-24-30(32)34-26-20-16-12-8-6-10-14-18-22-28(3)4/h23-24,27-28H,5-22,25-26H2,1-4H3
InChIKey
JEHBOJVFHNCQJZ-UHFFFAOYSA-N
Compound name
bis(11-methyldodecyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

480.41785 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.42513 231.1
[M+Na]+ 503.40707 239.3
[M-H]- 479.41057 221.3
[M+NH4]+ 498.45167 236.7
[M+K]+ 519.38101 238.5
[M+H-H2O]+ 463.41511 233.6
[M+HCOO]- 525.41605 235.4
[M+CH3COO]- 539.43170 244.4
[M+Na-2H]- 501.39252 219.7
[M]+ 480.41730 232.2
[M]- 480.41840 232.2
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