CID 137323862

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

Structural Information

Molecular Formula
C17H36O4
SMILES
CCCCCCCCCCCC[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C17H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)14-21-15-17(20)13-18/h16-20H,2-15H2,1H3/t16-,17+/m1/s1
InChIKey
NWPUZHCKNYVMOZ-SJORKVTESA-N
Compound name
(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.26135 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.26863 183.1
[M+Na]+ 327.25057 183.8
[M-H]- 303.25407 177.0
[M+NH4]+ 322.29517 195.9
[M+K]+ 343.22451 180.9
[M+H-H2O]+ 287.25861 176.6
[M+HCOO]- 349.25955 197.6
[M+CH3COO]- 363.27520 201.9
[M+Na-2H]- 325.23602 180.2
[M]+ 304.26080 187.2
[M]- 304.26190 187.2
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.