CID 114485

Arabinono-1,4-lactone

Structural Information

Molecular Formula
C5H8O5
SMILES
C(C(C1C(C(=O)O1)O)O)O
InChI
InChI=1S/C5H8O5/c6-1-2(7)4-3(8)5(9)10-4/h2-4,6-8H,1H2
InChIKey
GRYOZULSNCMRHE-UHFFFAOYSA-N
Compound name
4-(1,2-dihydroxyethyl)-3-hydroxyoxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

148.03717 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.044446 124.8
[M+Na]+ 171.026388 130.4
[M-H]- 147.029894 125.4
[M+NH4]+ 166.070993 136.2
[M+K]+ 187.000328 134.1
[M+H-H2O]+ 131.034430 115.1
[M+HCOO]- 193.035371 141.9
[M+CH3COO]- 207.051021 170.9
[M+Na-2H]- 169.011836 129.0
[M]+ 148.03662142 132.9
[M]- 148.03771858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe