CID 146155672

4-ethyl-4-(hydroxymethyl)oxolan-2-one

Structural Information

Molecular Formula
C7H12O3
SMILES
CCC1(CC(=O)OC1)CO
InChI
InChI=1S/C7H12O3/c1-2-7(4-8)3-6(9)10-5-7/h8H,2-5H2,1H3
InChIKey
PFVFUAAPRRIONI-UHFFFAOYSA-N
Compound name
4-ethyl-4-(hydroxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 127.4
[M+Na]+ 167.067858 135.2
[M-H]- 143.071364 130.4
[M+NH4]+ 162.112463 150.8
[M+K]+ 183.041798 135.4
[M+H-H2O]+ 127.075900 123.9
[M+HCOO]- 189.076841 148.9
[M+CH3COO]- 203.092491 169.3
[M+Na-2H]- 165.053306 133.8
[M]+ 144.07809142 127.5
[M]- 144.07918858 127.5
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.