CID 54670067

L-ascorbic acid

Structural Information

Molecular Formula

C₆H₈O₆

SMILES

C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O

InChI

InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1

InChIKey

CIWBSHSKHKDKBQ-JLAZNSOCSA-N

Compound name

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 47614
References: 418546
Patents: 176.03209 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.039366	131.6
[M+Na]+	199.021308	139.6
[M-H]-	175.024814	131.2
[M+NH4]+	194.065913	149.6
[M+K]+	214.995248	139.1
[M+H-H2O]+	159.029350	127.6
[M+HCOO]-	221.030291	149.7
[M+CH3COO]-	235.045941	169.1
[M+Na-2H]-	197.006756	134.2
[M]+	176.03154142	131.2
[M]-	176.03263858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe