CID 6437773

(z)-3-(2-hydroxy-3-(9-octadecenyloxy)propoxy)propane-1,2-diol

Structural Information

Molecular Formula
C24H48O5
SMILES
CCCCCCCC/C=C\CCCCCCCCOCC(COCC(CO)O)O
InChI
InChI=1S/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-21-24(27)22-29-20-23(26)19-25/h9-10,23-27H,2-8,11-22H2,1H3/b10-9-
InChIKey
XLJMZTKRCDHLFD-KTKRTIGZSA-N
Compound name
3-[2-hydroxy-3-[(Z)-octadec-9-enoxy]propoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

416.3502 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.357476 214.3
[M+Na]+ 439.339418 212.2
[M-H]- 415.342924 203.0
[M+NH4]+ 434.384023 211.5
[M+K]+ 455.313358 207.7
[M+H-H2O]+ 399.347460 206.3
[M+HCOO]- 461.348401 220.3
[M+CH3COO]- 475.364051 222.9
[M+Na-2H]- 437.324866 208.0
[M]+ 416.34965142 221.7
[M]- 416.35074858 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