CID 161815

34371-14-7

Structural Information

Molecular Formula
C5H8O4
SMILES
C1[C@@H]([C@H](OC1=O)CO)O
InChI
InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/s1
InChIKey
YIXDEYPPAGPYDP-IUYQGCFVSA-N
Compound name
(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

170
Patents

132.04225 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.049526 122.4
[M+Na]+ 155.031468 130.5
[M-H]- 131.034974 124.3
[M+NH4]+ 150.076073 143.6
[M+K]+ 171.005408 130.6
[M+H-H2O]+ 115.039510 118.5
[M+HCOO]- 177.040451 143.2
[M+CH3COO]- 191.056101 164.4
[M+Na-2H]- 153.016916 127.4
[M]+ 132.04170142 121.4
[M]- 132.04279858 121.4
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