CID 395160

(3r,7as)-3-phenyltetrahydropyrrolo[1,2-c]oxazol-5(1h)-one

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1CC(=O)N2[C@@H]1CO[C@@H]2C3=CC=CC=C3
InChI
InChI=1S/C12H13NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-,12+/m0/s1
InChIKey
OURKKNDNLSPPQY-CMPLNLGQSA-N
Compound name
(3R,7aS)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

203.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.0
[M+Na]+ 226.08386 150.8
[M-H]- 202.08736 149.9
[M+NH4]+ 221.12846 163.8
[M+K]+ 242.05780 149.0
[M+H-H2O]+ 186.09190 136.9
[M+HCOO]- 248.09284 163.5
[M+CH3COO]- 262.10849 156.4
[M+Na-2H]- 224.06931 146.0
[M]+ 203.09409 141.5
[M]- 203.09519 141.5
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