CID 139596420

Ns00095319

Structural Information

Molecular Formula
C18H36O5
SMILES
CCCCCCCCCCCCOCCC(=O)OCC(CO)O
InChI
InChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-14-12-18(21)23-16-17(20)15-19/h17,19-20H,2-16H2,1H3
InChIKey
OKLGLYBNJWMRSU-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-dodecoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2563 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.263576 188.2
[M+Na]+ 355.245518 189.2
[M-H]- 331.249024 183.4
[M+NH4]+ 350.290123 200.5
[M+K]+ 371.219458 186.9
[M+H-H2O]+ 315.253560 181.2
[M+HCOO]- 377.254501 204.4
[M+CH3COO]- 391.270151 207.8
[M+Na-2H]- 353.230966 185.5
[M]+ 332.25575142 195.3
[M]- 332.25684858 195.3
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.