CID 86743

Decylsuccinic anhydride

Structural Information

Molecular Formula

C₁₄H₂₄O₃

SMILES

CCCCCCCCCCC1CC(=O)OC1=O

InChI

InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12H,2-11H2,1H3

InChIKey

YOWKKGPNCDIFFB-UHFFFAOYSA-N

Compound name

3-decyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2153
Patents: 240.17255 Da
Monoisotopic Mass: 4.8
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]+	241.17983	159.0
[M+Na]+	263.16177	167.9
[M+NH4]+	258.20637	165.6
[M+K]+	279.13571	163.3
[M-H]-	239.16527	160.2
[M+Na-2H]-	261.14722	160.2
[M]+	240.17200	160.3
[M]-	240.17310	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe