CID 25066642

1036939-38-4

Structural Information

Molecular Formula
C22H40O4
SMILES
CCCCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C22H40O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21(23)25-5-2)22(24)26-6-3/h19H,4-18H2,1-3H3
InChIKey
APIJHPAXMCKJBY-UHFFFAOYSA-N
Compound name
diethyl 2-pentadecylidenepropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

368.29266 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.299936 200.7
[M+Na]+ 391.281878 201.7
[M-H]- 367.285384 198.4
[M+NH4]+ 386.326483 206.6
[M+K]+ 407.255818 198.9
[M+H-H2O]+ 351.289920 193.3
[M+HCOO]- 413.290861 212.2
[M+CH3COO]- 427.306511 220.6
[M+Na-2H]- 389.267326 195.7
[M]+ 368.29211142 209.7
[M]- 368.29320858 209.7
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