CID 74960

Decanoic anhydride

Structural Information

Molecular Formula

C₂₀H₃₈O₃

SMILES

CCCCCCCCCC(=O)OC(=O)CCCCCCCCC

InChI

InChI=1S/C20H38O3/c1-3-5-7-9-11-13-15-17-19(21)23-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChIKey

HTWWKYKIBSHDPC-UHFFFAOYSA-N

Compound name

decanoyl decanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1979
Patents: 326.2821 Da
Monoisotopic Mass: 8.1
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]+	327.289376	190.2
[M+Na]+	349.271318	191.9
[M-H]-	325.274824	188.1
[M+NH4]+	344.315923	204.5
[M+K]+	365.245258	189.1
[M+H-H2O]+	309.279360	183.1
[M+HCOO]-	371.280301	208.6
[M+CH3COO]-	385.295951	213.5
[M+Na-2H]-	347.256766	187.4
[M]+	326.28155142	198.4
[M]-	326.28264858	198.4

Literature stripe

literature stripe

Patent stripe

patents stripe