CID 201907

Brn 1219127

Structural Information

Molecular Formula
C13H14FNO2
SMILES
C1CN2C(=O)CCC2(OC1)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H14FNO2/c14-11-4-2-10(3-5-11)13-7-6-12(16)15(13)8-1-9-17-13/h2-5H,1,6-9H2
InChIKey
OYARXWWFTYDBCS-UHFFFAOYSA-N
Compound name
8a-(4-fluorophenyl)-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

235.10086 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10814 150.2
[M+Na]+ 258.09008 157.8
[M-H]- 234.09358 155.4
[M+NH4]+ 253.13468 169.8
[M+K]+ 274.06402 155.3
[M+H-H2O]+ 218.09812 142.2
[M+HCOO]- 280.09906 167.1
[M+CH3COO]- 294.11471 162.3
[M+Na-2H]- 256.07553 154.7
[M]+ 235.10031 146.0
[M]- 235.10141 146.0
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.