CID 11024766

77133-35-8

Structural Information

Molecular Formula
C21H42O4
SMILES
CCCCCCCCCCCCCCCCOC[C@H](CO)OC(=O)C
InChI
InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21-22H,3-19H2,1-2H3/t21-/m0/s1
InChIKey
QTEHGUUSIIWOOW-NRFANRHFSA-N
Compound name
[(2S)-1-hexadecoxy-3-hydroxypropan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

99
Patents

358.30832 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.31560 195.7
[M+Na]+ 381.29754 201.1
[M+NH4]+ 376.34214 207.4
[M+K]+ 397.27148 194.6
[M-H]- 357.30104 192.4
[M+Na-2H]- 379.28299 193.7
[M]+ 358.30777 195.0
[M]- 358.30887 195.0
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