CID 19986

3-ethyl-3-phenyloxolan-2-one

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC1(CCOC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O2/c1-2-12(8-9-14-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
TVRCQMFDVHKZHL-UHFFFAOYSA-N
Compound name
3-ethyl-3-phenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

190.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.9
[M+Na]+ 213.088598 147.5
[M-H]- 189.092104 147.3
[M+NH4]+ 208.133203 161.8
[M+K]+ 229.062538 146.3
[M+H-H2O]+ 173.096640 134.5
[M+HCOO]- 235.097581 162.7
[M+CH3COO]- 249.113231 180.4
[M+Na-2H]- 211.074046 146.0
[M]+ 190.09883142 139.7
[M]- 190.09992858 139.7
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