CID 3034676

(palmitoyloxy)-l-ascorbic acid

Structural Information

Molecular Formula
C22H38O7
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)O[C@H]1[C@H](CO)O)O
InChI
InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(25)28-21-19(26)22(27)29-20(21)17(24)16-23/h17,20,23-24,26H,2-16H2,1H3/t17-,20-/m0/s1
InChIKey
DLPACQFCRQUOOZ-PXNSSMCTSA-N
Compound name
[(2S)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

414.26175 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.26903 205.3
[M+Na]+ 437.25097 206.7
[M-H]- 413.25447 203.4
[M+NH4]+ 432.29557 214.1
[M+K]+ 453.22491 204.2
[M+H-H2O]+ 397.25901 198.3
[M+HCOO]- 459.25995 218.9
[M+CH3COO]- 473.27560 220.7
[M+Na-2H]- 435.23642 199.3
[M]+ 414.26120 212.5
[M]- 414.26230 212.5
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