CID 5365059

Dinonyl maleate

Structural Information

Molecular Formula
C22H40O4
SMILES
CCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCC
InChI
InChI=1S/C22H40O4/c1-3-5-7-9-11-13-15-19-25-21(23)17-18-22(24)26-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3/b18-17-
InChIKey
PQJYOOFQDXGDDS-ZCXUNETKSA-N
Compound name
dinonyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2866
Patents

368.29266 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.299936 200.2
[M+Na]+ 391.281878 201.3
[M-H]- 367.285384 197.7
[M+NH4]+ 386.326483 205.4
[M+K]+ 407.255818 198.0
[M+H-H2O]+ 351.289920 192.6
[M+HCOO]- 413.290861 214.9
[M+CH3COO]- 427.306511 219.8
[M+Na-2H]- 389.267326 196.5
[M]+ 368.29211142 209.8
[M]- 368.29320858 209.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe