CID 56936039

Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3h)-one

Structural Information

Molecular Formula
C7H12O4
SMILES
CC1COC(=O)C1(C(C)O)O
InChI
InChI=1S/C7H12O4/c1-4-3-11-6(9)7(4,10)5(2)8/h4-5,8,10H,3H2,1-2H3
InChIKey
AAMXRZJYSRMQQF-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(1-hydroxyethyl)-4-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 130.5
[M+Na]+ 183.06278 138.5
[M-H]- 159.06628 132.5
[M+NH4]+ 178.10738 152.7
[M+K]+ 199.03672 138.7
[M+H-H2O]+ 143.07082 127.6
[M+HCOO]- 205.07176 149.6
[M+CH3COO]- 219.08741 171.0
[M+Na-2H]- 181.04823 134.7
[M]+ 160.07301 130.0
[M]- 160.07411 130.0
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

No patent data available for this compound.