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

38
Patents

298.28717 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.294446 183.7
[M+Na]+ 321.276388 186.3
[M-H]- 297.279894 182.1
[M+NH4]+ 316.320993 199.5
[M+K]+ 337.250328 183.9
[M+H-H2O]+ 281.284430 177.6
[M+HCOO]- 343.285371 201.4
[M+CH3COO]- 357.301021 209.2
[M+Na-2H]- 319.261836 183.4
[M]+ 298.28662142 190.9
[M]- 298.28771858 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