CID 569306

26939-21-9

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CC1CC(N=C(O1)C2=CC=CC=C2)(C)C

InChI

InChI=1S/C13H17NO/c1-10-9-13(2,3)14-12(15-10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3

InChIKey

SWWPMSJGZDRNAG-UHFFFAOYSA-N

Compound name

4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.13101 Da
Monoisotopic Mass: 2.8
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]+	204.13829	145.0
[M+Na]+	226.12023	153.0
[M-H]-	202.12373	151.2
[M+NH4]+	221.16483	163.7
[M+K]+	242.09417	151.6
[M+H-H2O]+	186.12827	137.8
[M+HCOO]-	248.12921	165.0
[M+CH3COO]-	262.14486	186.1
[M+Na-2H]-	224.10568	152.2
[M]+	203.13046	144.5
[M]-	203.13156	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe