CID 445948

L-fucono-1,5-lactone

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

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

InChI

InChI=1S/C6H10O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-5,7-9H,1H3/t2-,3+,4+,5-/m0/s1

InChIKey

ZVAHHEYPLKVJSO-RSJOWCBRSA-N

Compound name

(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 162.05283 Da
Monoisotopic Mass: -1.5
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]+	163.06011	129.6
[M+Na]+	185.04205	137.7
[M-H]-	161.04555	130.5
[M+NH4]+	180.08665	147.6
[M+K]+	201.01599	137.5
[M+H-H2O]+	145.05009	125.4
[M+HCOO]-	207.05103	146.5
[M+CH3COO]-	221.06668	170.3
[M+Na-2H]-	183.02750	133.4
[M]+	162.05228	127.4
[M]-	162.05338	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe