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

literature stripe

Patent stripe

patents stripe