CID 137323863

1-o-(2r-hydroxy-pentadecyl)-sn-glycerol

Structural Information

Molecular Formula
C18H38O4
SMILES
CCCCCCCCCCCCC[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)15-22-16-18(21)14-19/h17-21H,2-16H2,1H3/t17-,18+/m1/s1
InChIKey
XNBDVGMHTKTALN-MSOLQXFVSA-N
Compound name
(2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.277 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.28428 187.5
[M+Na]+ 341.26622 187.7
[M-H]- 317.26972 181.2
[M+NH4]+ 336.31082 199.7
[M+K]+ 357.24016 184.7
[M+H-H2O]+ 301.27426 180.8
[M+HCOO]- 363.27520 201.7
[M+CH3COO]- 377.29085 204.9
[M+Na-2H]- 339.25167 184.1
[M]+ 318.27645 192.0
[M]- 318.27755 192.0
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.