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]+ 218.117556 147.3
[M+Na]+ 240.099498 153.9
[M-H]- 216.103004 153.5
[M+NH4]+ 235.144103 167.4
[M+K]+ 256.073438 151.9
[M+H-H2O]+ 200.107540 140.0
[M+HCOO]- 262.108481 165.3
[M+CH3COO]- 276.124131 159.6
[M+Na-2H]- 238.084946 153.1
[M]+ 217.10973142 143.7
[M]- 217.11082858 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.