CID 39083

42013-31-0

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCN(CC)C(=O)C1CC(C(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-3-16(4-2)14(17)13-10-12(15(18)19-13)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKey
YLPSXLZZSBHXED-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-oxo-4-phenyloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 161.3
[M+Na]+ 284.125718 166.7
[M-H]- 260.129224 169.7
[M+NH4]+ 279.170323 178.6
[M+K]+ 300.099658 166.3
[M+H-H2O]+ 244.133760 154.2
[M+HCOO]- 306.134701 183.9
[M+CH3COO]- 320.150351 201.0
[M+Na-2H]- 282.111166 162.3
[M]+ 261.13595142 162.7
[M]- 261.13704858 162.7
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

No patent data available for this compound.