CID 69377

Myristic anhydride

Structural Information

Molecular Formula
C28H54O3
SMILES
CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey
RCRYHUPTBJZEQS-UHFFFAOYSA-N
Compound name
tetradecanoyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2012
Patents

438.4073 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.41458 225.6
[M+Na]+ 461.39652 223.9
[M-H]- 437.40002 211.2
[M+NH4]+ 456.44112 226.2
[M+K]+ 477.37046 219.1
[M+H-H2O]+ 421.40456 217.0
[M+HCOO]- 483.40550 233.7
[M+CH3COO]- 497.42115 236.9
[M+Na-2H]- 459.38197 218.6
[M]+ 438.40675 226.2
[M]- 438.40785 226.2
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