CID 150736

3-o-ethyl-l-ascorbic acid

Structural Information

Molecular Formula
C8H12O6
SMILES
CCOC1=C(C(=O)O[C@@H]1[C@H](CO)O)O
InChI
InChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
InChIKey
ZGSCRDSBTNQPMS-UJURSFKZSA-N
Compound name
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

2982
Patents

204.06339 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07067 141.5
[M+Na]+ 227.05261 149.3
[M+NH4]+ 222.09721 146.4
[M+K]+ 243.02655 149.8
[M-H]- 203.05611 140.0
[M+Na-2H]- 225.03806 141.4
[M]+ 204.06284 141.6
[M]- 204.06394 141.6
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