CID 14402139

Tetradecanoic acid, 2,2-dimethylpropyl ester

Structural Information

Molecular Formula
C19H38O2
SMILES
CCCCCCCCCCCCCC(=O)OCC(C)(C)C
InChI
InChI=1S/C19H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(20)21-17-19(2,3)4/h5-17H2,1-4H3
InChIKey
VUDOAEVYGXSOME-UHFFFAOYSA-N
Compound name
2,2-dimethylpropyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

298.28717 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.29445 183.7
[M+Na]+ 321.27639 186.3
[M-H]- 297.27989 182.1
[M+NH4]+ 316.32099 199.5
[M+K]+ 337.25033 183.9
[M+H-H2O]+ 281.28443 177.6
[M+HCOO]- 343.28537 201.4
[M+CH3COO]- 357.30102 209.2
[M+Na-2H]- 319.26184 183.4
[M]+ 298.28662 190.9
[M]- 298.28772 190.9
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