CID 116980

1,2-propanediol, 3-[3-hydroxy-2-(9-octadecen-1-yloxy)propoxy]-

Structural Information

Molecular Formula
C24H48O5
SMILES
CCCCCCCCC=CCCCCCCCCOC(CO)COCC(CO)O
InChI
InChI=1S/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24(20-26)22-28-21-23(27)19-25/h9-10,23-27H,2-8,11-22H2,1H3
InChIKey
LPMWAAKSDNAAFA-UHFFFAOYSA-N
Compound name
3-(3-hydroxy-2-octadec-9-enoxypropoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

416.3502 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.35748 214.3
[M+Na]+ 439.33942 212.2
[M-H]- 415.34292 203.0
[M+NH4]+ 434.38402 211.5
[M+K]+ 455.31336 207.7
[M+H-H2O]+ 399.34746 206.3
[M+HCOO]- 461.34840 220.3
[M+CH3COO]- 475.36405 222.9
[M+Na-2H]- 437.32487 208.0
[M]+ 416.34965 221.7
[M]- 416.35075 221.7
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