CID 124080856

D-apionolactone

Structural Information

Molecular Formula
C5H8O5
SMILES
C1[C@@]([C@H](C(=O)O1)O)(CO)O
InChI
InChI=1S/C5H8O5/c6-1-5(9)2-10-4(8)3(5)7/h3,6-7,9H,1-2H2/t3-,5+/m0/s1
InChIKey
MTSAHRPUAGVYCZ-WVZVXSGGSA-N
Compound name
(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

148.03717 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.044446 124.5
[M+Na]+ 171.026388 133.0
[M-H]- 147.029894 125.3
[M+NH4]+ 166.070993 146.3
[M+K]+ 187.000328 132.8
[M+H-H2O]+ 131.034430 121.7
[M+HCOO]- 193.035371 143.9
[M+CH3COO]- 207.051021 163.8
[M+Na-2H]- 169.011836 130.6
[M]+ 148.03662142 123.5
[M]- 148.03771858 123.5
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

No patent data available for this compound.