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

41
Patents

190.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 139.9
[M+Na]+ 213.08860 147.5
[M-H]- 189.09210 147.3
[M+NH4]+ 208.13320 161.8
[M+K]+ 229.06254 146.3
[M+H-H2O]+ 173.09664 134.5
[M+HCOO]- 235.09758 162.7
[M+CH3COO]- 249.11323 180.4
[M+Na-2H]- 211.07405 146.0
[M]+ 190.09883 139.7
[M]- 190.09993 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