CID 89228

19798-94-8

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1(CCNCO1)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-11(7-8-12-9-13-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3

InChIKey

AZJAHPUBENCFOO-UHFFFAOYSA-N

Compound name

6-methyl-6-phenyl-1,3-oxazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 177.11537 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]+	178.12265	139.3
[M+Na]+	200.10459	144.8
[M-H]-	176.10809	143.2
[M+NH4]+	195.14919	157.5
[M+K]+	216.07853	143.0
[M+H-H2O]+	160.11263	132.2
[M+HCOO]-	222.11357	156.9
[M+CH3COO]-	236.12922	151.2
[M+Na-2H]-	198.09004	147.3
[M]+	177.11482	134.0
[M]-	177.11592	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe