CID 10936445

1-o-palmityl-2-o-methyl-sn-glycerol

Structural Information

Molecular Formula
C20H42O3
SMILES
CCCCCCCCCCCCCCCCOC[C@H](CO)OC
InChI
InChI=1S/C20H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20-21H,3-19H2,1-2H3/t20-/m0/s1
InChIKey
XAWCMDFDFNRKGK-FQEVSTJZSA-N
Compound name
(2S)-3-hexadecoxy-2-methoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

330.3134 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.320676 192.7
[M+Na]+ 353.302618 193.3
[M-H]- 329.306124 188.8
[M+NH4]+ 348.347223 206.0
[M+K]+ 369.276558 190.4
[M+H-H2O]+ 313.310660 185.3
[M+HCOO]- 375.311601 210.0
[M+CH3COO]- 389.327251 213.1
[M+Na-2H]- 351.288066 190.4
[M]+ 330.31285142 201.0
[M]- 330.31394858 201.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe