CID 10154128

60134-26-1

Structural Information

Molecular Formula
C6H12O4
SMILES
COC1C[C@@H]([C@H](O1)CO)O
InChI
InChI=1S/C6H12O4/c1-9-6-2-4(8)5(3-7)10-6/h4-8H,2-3H2,1H3/t4-,5+,6?/m0/s1
InChIKey
NVGJZDFWPSOTHM-YRZWDFBDSA-N
Compound name
(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

159
Patents

148.07356 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 128.4
[M+Na]+ 171.06278 135.7
[M-H]- 147.06628 130.0
[M+NH4]+ 166.10738 149.0
[M+K]+ 187.03672 136.1
[M+H-H2O]+ 131.07082 124.2
[M+HCOO]- 193.07176 148.6
[M+CH3COO]- 207.08741 168.3
[M+Na-2H]- 169.04823 132.8
[M]+ 148.07301 128.4
[M]- 148.07411 128.4
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