CID 15609072

4-ethyl-3-hydroxy-4-methyloxolan-2-one

Structural Information

Molecular Formula
C7H12O3
SMILES
CCC1(COC(=O)C1O)C
InChI
InChI=1S/C7H12O3/c1-3-7(2)4-10-6(9)5(7)8/h5,8H,3-4H2,1-2H3
InChIKey
UDNSVMRLHHBYOK-UHFFFAOYSA-N
Compound name
4-ethyl-3-hydroxy-4-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 126.3
[M+Na]+ 167.067858 135.0
[M-H]- 143.071364 129.6
[M+NH4]+ 162.112463 149.9
[M+K]+ 183.041798 135.2
[M+H-H2O]+ 127.075900 123.2
[M+HCOO]- 189.076841 147.7
[M+CH3COO]- 203.092491 170.4
[M+Na-2H]- 165.053306 132.1
[M]+ 144.07809142 126.7
[M]- 144.07918858 126.7
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