CID 14251994

3-hydroxy-2,2-bis(hydroxymethyl)propyl myristate

Structural Information

Molecular Formula
C19H38O5
SMILES
CCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO
InChI
InChI=1S/C19H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)24-17-19(14-20,15-21)16-22/h20-22H,2-17H2,1H3
InChIKey
FYGQDCOGQFCJKH-UHFFFAOYSA-N
Compound name
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

346.2719 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.279176 192.3
[M+Na]+ 369.261118 193.0
[M-H]- 345.264624 186.1
[M+NH4]+ 364.305723 203.5
[M+K]+ 385.235058 189.7
[M+H-H2O]+ 329.269160 186.0
[M+HCOO]- 391.270101 206.1
[M+CH3COO]- 405.285751 208.0
[M+Na-2H]- 367.246566 190.8
[M]+ 346.27135142 198.1
[M]- 346.27244858 198.1
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

patents stripe