CID 4248019

143140-06-1

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC12C=CC(=O)N1C(CO2)C3=CC=CC=C3
InChI
InChI=1S/C13H13NO2/c1-13-8-7-12(15)14(13)11(9-16-13)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3
InChIKey
UFQSRYWJCHFOQX-UHFFFAOYSA-N
Compound name
7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

215.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 145.4
[M+Na]+ 238.083858 154.9
[M-H]- 214.087364 153.0
[M+NH4]+ 233.128463 168.0
[M+K]+ 254.057798 152.8
[M+H-H2O]+ 198.091900 139.6
[M+HCOO]- 260.092841 167.2
[M+CH3COO]- 274.108491 159.6
[M+Na-2H]- 236.069306 150.1
[M]+ 215.09409142 146.1
[M]- 215.09518858 146.1
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.