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
5
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]+ 299.294446 184.4
[M+Na]+ 321.276388 186.2
[M-H]- 297.279894 182.4
[M+NH4]+ 316.320993 199.9
[M+K]+ 337.250328 183.8
[M+H-H2O]+ 281.284430 177.6
[M+HCOO]- 343.285371 202.6
[M+CH3COO]- 357.301021 210.2
[M+Na-2H]- 319.261836 181.9
[M]+ 298.28662142 191.5
[M]- 298.28771858 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