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
3
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]+ 415.269026 205.3
[M+Na]+ 437.250968 206.7
[M-H]- 413.254474 203.4
[M+NH4]+ 432.295573 214.1
[M+K]+ 453.224908 204.2
[M+H-H2O]+ 397.259010 198.3
[M+HCOO]- 459.259951 218.9
[M+CH3COO]- 473.275601 220.7
[M+Na-2H]- 435.236416 199.3
[M]+ 414.26120142 212.5
[M]- 414.26229858 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