CID 546238

Myristyl neopentanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

492
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 181.0
[M+Na]+ 321.27639 188.5
[M+NH4]+ 316.32099 186.6
[M+K]+ 337.25033 181.5
[M-H]- 297.27989 179.1
[M+Na-2H]- 319.26184 181.4
[M]+ 298.28662 181.3
[M]- 298.28772 181.3
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