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: 11
Patents: 368.29266 Da
Monoisotopic Mass: 8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.29994	200.7
[M+Na]+	391.28188	201.7
[M-H]-	367.28538	198.4
[M+NH4]+	386.32648	206.6
[M+K]+	407.25582	198.9
[M+H-H2O]+	351.28992	193.3
[M+HCOO]-	413.29086	212.2
[M+CH3COO]-	427.30651	220.6
[M+Na-2H]-	389.26733	195.7
[M]+	368.29211	209.7
[M]-	368.29321	209.7

Literature stripe

literature stripe

Patent stripe

patents stripe