CID 13639661

3-hydroxy-4-methyloxolan-2-one

Structural Information

Molecular Formula
C5H8O3
SMILES
CC1COC(=O)C1O
InChI
InChI=1S/C5H8O3/c1-3-2-8-5(7)4(3)6/h3-4,6H,2H2,1H3
InChIKey
GFPAFTLIWBGZMF-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

116.04734 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 118.8
[M+Na]+ 139.036558 127.4
[M-H]- 115.040064 122.1
[M+NH4]+ 134.081163 141.5
[M+K]+ 155.010498 128.0
[M+H-H2O]+ 99.044600 115.0
[M+HCOO]- 161.045541 140.8
[M+CH3COO]- 175.061191 164.8
[M+Na-2H]- 137.022006 124.2
[M]+ 116.04679142 118.1
[M]- 116.04788858 118.1
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