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]+ 145.08592 127.4
[M+Na]+ 167.06786 135.2
[M-H]- 143.07136 130.4
[M+NH4]+ 162.11246 150.8
[M+K]+ 183.04180 135.4
[M+H-H2O]+ 127.07590 123.9
[M+HCOO]- 189.07684 148.9
[M+CH3COO]- 203.09249 169.3
[M+Na-2H]- 165.05331 133.8
[M]+ 144.07809 127.5
[M]- 144.07919 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.