CID 122530

2-ethylhexyl myristate

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C22H44O2/c1-4-7-9-10-11-12-13-14-15-16-17-19-22(23)24-20-21(6-3)18-8-5-2/h21H,4-20H2,1-3H3
InChIKey
GRXOKLJPWSYWIA-UHFFFAOYSA-N
Compound name
2-ethylhexyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1933
Patents

340.33414 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 197.9
[M+Na]+ 363.32336 198.5
[M-H]- 339.32686 195.4
[M+NH4]+ 358.36796 211.7
[M+K]+ 379.29730 195.3
[M+H-H2O]+ 323.33140 190.5
[M+HCOO]- 385.33234 215.1
[M+CH3COO]- 399.34799 219.1
[M+Na-2H]- 361.30881 193.9
[M]+ 340.33359 206.1
[M]- 340.33469 206.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe