CID 74881

Lauryl myristate

Structural Information

Molecular Formula
C26H52O2
SMILES
CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C26H52O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26(27)28-25-23-21-19-17-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKey
DFQOCHPHORLRID-UHFFFAOYSA-N
Compound name
dodecyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1784
Patents

396.39673 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.40401 214.7
[M+Na]+ 419.38595 213.7
[M-H]- 395.38945 211.2
[M+NH4]+ 414.43055 217.1
[M+K]+ 435.35989 209.0
[M+H-H2O]+ 379.39399 206.4
[M+HCOO]- 441.39493 231.5
[M+CH3COO]- 455.41058 230.1
[M+Na-2H]- 417.37140 209.8
[M]+ 396.39618 225.0
[M]- 396.39728 225.0
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