CID 101322

2-(2-hydroxyethoxy)ethyl myristate

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCCCCCC(=O)OCCOCCO
InChI
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(20)22-17-16-21-15-14-19/h19H,2-17H2,1H3
InChIKey
LZSVYIQKUAVZFB-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

316.26135 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.268626 184.8
[M+Na]+ 339.250568 186.6
[M-H]- 315.254074 181.4
[M+NH4]+ 334.295173 198.7
[M+K]+ 355.224508 184.2
[M+H-H2O]+ 299.258610 177.8
[M+HCOO]- 361.259551 203.3
[M+CH3COO]- 375.275201 207.6
[M+Na-2H]- 337.236016 183.8
[M]+ 316.26080142 193.2
[M]- 316.26189858 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe