CID 139594384

Ns00095336

Structural Information

Molecular Formula
C20H40O5
SMILES
CCCCCCCCCCCCCCOCCC(=O)OCC(CO)O
InChI
InChI=1S/C20H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-16-14-20(23)25-18-19(22)17-21/h19,21-22H,2-18H2,1H3
InChIKey
BOHVYZDSZLZXTM-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-tetradecoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.28757 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.294846 197.0
[M+Na]+ 383.276788 197.1
[M-H]- 359.280294 191.8
[M+NH4]+ 378.321393 199.6
[M+K]+ 399.250728 194.4
[M+H-H2O]+ 343.284830 189.6
[M+HCOO]- 405.285771 212.5
[M+CH3COO]- 419.301421 213.7
[M+Na-2H]- 381.262236 193.3
[M]+ 360.28702142 204.9
[M]- 360.28811858 204.9
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.