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

3
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 184.4
[M+Na]+ 321.27639 186.2
[M-H]- 297.27989 182.4
[M+NH4]+ 316.32099 199.9
[M+K]+ 337.25033 183.8
[M+H-H2O]+ 281.28443 177.6
[M+HCOO]- 343.28537 202.6
[M+CH3COO]- 357.30102 210.2
[M+Na-2H]- 319.26184 181.9
[M]+ 298.28662 191.5
[M]- 298.28772 191.5
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