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
1
Annotation Hits

3
References

1689
Patents

326.2821 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.28938 190.2
[M+Na]+ 349.27132 191.9
[M-H]- 325.27482 188.1
[M+NH4]+ 344.31592 204.5
[M+K]+ 365.24526 189.1
[M+H-H2O]+ 309.27936 183.1
[M+HCOO]- 371.28030 208.6
[M+CH3COO]- 385.29595 213.5
[M+Na-2H]- 347.25677 187.4
[M]+ 326.28155 198.4
[M]- 326.28265 198.4
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