CID 11805069

492-30-8

Structural Information

Molecular Formula
C6H10O5
SMILES
C[C@]1([C@@H]([C@H](OC1=O)CO)O)O
InChI
InChI=1S/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3-,4-,6-/m1/s1
InChIKey
WJBVKNHJSHYNHO-ZMIZWQJLSA-N
Compound name
(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

149
Patents

162.05283 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 128.2
[M+Na]+ 185.04205 137.1
[M-H]- 161.04555 129.2
[M+NH4]+ 180.08665 149.8
[M+K]+ 201.01599 136.7
[M+H-H2O]+ 145.05009 125.6
[M+HCOO]- 207.05103 147.2
[M+CH3COO]- 221.06668 168.1
[M+Na-2H]- 183.02750 133.1
[M]+ 162.05228 127.9
[M]- 162.05338 127.9
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