CID 3022477

2-methylbutyl tetradecanoate

Structural Information

Molecular Formula
C19H38O2
SMILES
CCCCCCCCCCCCCC(=O)OCC(C)CC
InChI
InChI=1S/C19H38O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-19(20)21-17-18(3)5-2/h18H,4-17H2,1-3H3
InChIKey
FRHCPJSPAUFBEH-UHFFFAOYSA-N
Compound name
2-methylbutyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

298.28717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.29445 181.2
[M+Na]+ 321.27639 188.6
[M+NH4]+ 316.32099 186.8
[M+K]+ 337.25033 181.1
[M-H]- 297.27989 179.7
[M+Na-2H]- 319.26184 181.2
[M]+ 298.28662 181.5
[M]- 298.28772 181.5
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