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 153.4
[M+Na]+ 274.06052 166.9
[M+NH4]+ 269.10512 164.4
[M+K]+ 290.03446 159.3
[M-H]- 250.06402 158.4
[M+Na-2H]- 272.04597 160.6
[M]+ 251.07075 157.2
[M]- 251.07185 157.2
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.