CID 201903

Brn 1216293

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CN2C(=O)CCC2(OC1)C3=CC=CC=C3
InChI
InChI=1S/C13H15NO2/c15-12-7-8-13(11-5-2-1-3-6-11)14(12)9-4-10-16-13/h1-3,5-6H,4,7-10H2
InChIKey
JYZKUBUPZIRYAK-UHFFFAOYSA-N
Compound name
8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 147.3
[M+Na]+ 240.09950 153.9
[M-H]- 216.10300 153.5
[M+NH4]+ 235.14410 167.4
[M+K]+ 256.07344 151.9
[M+H-H2O]+ 200.10754 140.0
[M+HCOO]- 262.10848 165.3
[M+CH3COO]- 276.12413 159.6
[M+Na-2H]- 238.08495 153.1
[M]+ 217.10973 143.7
[M]- 217.11083 143.7
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

No patent data available for this compound.