CID 85968363

2-[2-(2-hydroxyethoxy)ethoxy]ethyl tetradecanoate

Structural Information

Molecular Formula
C20H40O5
SMILES
CCCCCCCCCCCCCC(=O)OCCOCCOCCO
InChI
InChI=1S/C20H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-18-24-17-16-23-15-14-21/h21H,2-19H2,1H3
InChIKey
BKIUTBUGQBASJK-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxy]ethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.28757 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.294846 195.9
[M+Na]+ 383.276788 196.7
[M-H]- 359.280294 192.0
[M+NH4]+ 378.321393 207.8
[M+K]+ 399.250728 194.3
[M+H-H2O]+ 343.284830 188.2
[M+HCOO]- 405.285771 213.9
[M+CH3COO]- 419.301421 215.4
[M+Na-2H]- 381.262236 194.0
[M]+ 360.28702142 206.4
[M]- 360.28811858 206.4
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