CID 11536248

202284-86-4

Structural Information

Molecular Formula
C14H15NO4
SMILES
C1COC(=O)[C@H]1NC(=O)CC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C14H15NO4/c16-11(8-10-4-2-1-3-5-10)9-13(17)15-12-6-7-19-14(12)18/h1-5,12H,6-9H2,(H,15,17)/t12-/m0/s1
InChIKey
SZKJWOMSLREKNK-LBPRGKRZSA-N
Compound name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

261.1001 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 159.0
[M+Na]+ 284.08932 163.6
[M-H]- 260.09282 165.7
[M+NH4]+ 279.13392 175.0
[M+K]+ 300.06326 162.5
[M+H-H2O]+ 244.09736 151.9
[M+HCOO]- 306.09830 180.7
[M+CH3COO]- 320.11395 195.6
[M+Na-2H]- 282.07477 160.8
[M]+ 261.09955 158.5
[M]- 261.10065 158.5
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.