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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.078576	154.7
[M+Na]+	274.060518	162.9
[M-H]-	250.064024	161.0
[M+NH4]+	269.105123	174.5
[M+K]+	290.034458	159.2
[M+H-H2O]+	234.068560	148.0
[M+HCOO]-	296.069501	167.9
[M+CH3COO]-	310.085151	166.9
[M+Na-2H]-	272.045966	159.2
[M]+	251.07075142	153.5
[M]-	251.07184858	153.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.