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]+ 216.10192 145.4
[M+Na]+ 238.08386 154.9
[M-H]- 214.08736 153.0
[M+NH4]+ 233.12846 168.0
[M+K]+ 254.05780 152.8
[M+H-H2O]+ 198.09190 139.6
[M+HCOO]- 260.09284 167.2
[M+CH3COO]- 274.10849 159.6
[M+Na-2H]- 236.06931 150.1
[M]+ 215.09409 146.1
[M]- 215.09519 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.