CID 201905

Brn 1218004

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

CC1=CC=C(C=C1)C23CCC(=O)N2CCCO3

InChI

InChI=1S/C14H17NO2/c1-11-3-5-12(6-4-11)14-8-7-13(16)15(14)9-2-10-17-14/h3-6H,2,7-10H2,1H3

InChIKey

WLZOVDLKCXHTKP-UHFFFAOYSA-N

Compound name

8a-(4-methylphenyl)-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: 231.12593 Da
Monoisotopic Mass: 1.6
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]+	232.133206	151.6
[M+Na]+	254.115148	158.7
[M-H]-	230.118654	158.0
[M+NH4]+	249.159753	171.5
[M+K]+	270.089088	156.5
[M+H-H2O]+	214.123190	144.5
[M+HCOO]-	276.124131	169.3
[M+CH3COO]-	290.139781	163.9
[M+Na-2H]-	252.100596	156.3
[M]+	231.12538142	148.8
[M]-	231.12647858	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.