CID 103578

51994-11-7

Structural Information

Molecular Formula
C8H12O4
SMILES
CC1=C(C(=O)C(O1)(C)C(C)O)O
InChI
InChI=1S/C8H12O4/c1-4-6(10)7(11)8(3,12-4)5(2)9/h5,9-10H,1-3H3
InChIKey
HEBLFQHRAHRFNP-UHFFFAOYSA-N
Compound name
4-hydroxy-2-(1-hydroxyethyl)-2,5-dimethylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

172.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 131.9
[M+Na]+ 195.062778 141.4
[M-H]- 171.066284 134.6
[M+NH4]+ 190.107383 154.0
[M+K]+ 211.036718 141.3
[M+H-H2O]+ 155.070820 129.2
[M+HCOO]- 217.071761 152.2
[M+CH3COO]- 231.087411 174.9
[M+Na-2H]- 193.048226 136.0
[M]+ 172.07301142 133.6
[M]- 172.07410858 133.6
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