CID 3023396

Methyl 2-decyl-3-hydroxytetradecanoate

Structural Information

Molecular Formula
C25H50O3
SMILES
CCCCCCCCCCCC(C(CCCCCCCCCC)C(=O)OC)O
InChI
InChI=1S/C25H50O3/c1-4-6-8-10-12-14-16-18-20-22-24(26)23(25(27)28-3)21-19-17-15-13-11-9-7-5-2/h23-24,26H,4-22H2,1-3H3
InChIKey
WENUEWXDPUUADB-UHFFFAOYSA-N
Compound name
methyl 2-decyl-3-hydroxytetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.376 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.383276 214.9
[M+Na]+ 421.365218 213.5
[M-H]- 397.368724 210.4
[M+NH4]+ 416.409823 215.5
[M+K]+ 437.339158 209.7
[M+H-H2O]+ 381.373260 207.1
[M+HCOO]- 443.374201 220.2
[M+CH3COO]- 457.389851 227.8
[M+Na-2H]- 419.350666 207.6
[M]+ 398.37545142 223.1
[M]- 398.37654858 223.1
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

No patent data available for this compound.