CID 3084971

51248-32-9

Structural Information

Molecular Formula
C19H38O6
SMILES
CCCCCCCCCCCC(=O)OCC(COCCO)OCCO
InChI
InChI=1S/C19H38O6/c1-2-3-4-5-6-7-8-9-10-11-19(22)25-17-18(24-15-13-21)16-23-14-12-20/h18,20-21H,2-17H2,1H3
InChIKey
OEZPKXDBWNXBRE-UHFFFAOYSA-N
Compound name
2,3-bis(2-hydroxyethoxy)propyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3050
Patents

362.26685 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.27413 194.6
[M+Na]+ 385.25607 195.0
[M-H]- 361.25957 189.5
[M+NH4]+ 380.30067 199.2
[M+K]+ 401.23001 193.1
[M+H-H2O]+ 345.26411 187.1
[M+HCOO]- 407.26505 208.6
[M+CH3COO]- 421.28070 212.7
[M+Na-2H]- 383.24152 191.5
[M]+ 362.26630 203.5
[M]- 362.26740 203.5
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