CID 201904

Brn 1219128

Structural Information

Molecular Formula
C13H14ClNO2
SMILES
C1CN2C(=O)CCC2(OC1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H14ClNO2/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
ARVSFTLWQNLALI-UHFFFAOYSA-N
Compound name
8a-(4-chlorophenyl)-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

251.0713 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07858 154.7
[M+Na]+ 274.06052 162.9
[M-H]- 250.06402 161.0
[M+NH4]+ 269.10512 174.5
[M+K]+ 290.03446 159.2
[M+H-H2O]+ 234.06856 148.0
[M+HCOO]- 296.06950 167.9
[M+CH3COO]- 310.08515 166.9
[M+Na-2H]- 272.04597 159.2
[M]+ 251.07075 153.5
[M]- 251.07185 153.5
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

No patent data available for this compound.