CID 171938

Einecs 267-464-6

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC1(CC(OC(=N1)C=C)(C)O)C

InChI

InChI=1S/C9H15NO2/c1-5-7-10-8(2,3)6-9(4,11)12-7/h5,11H,1,6H2,2-4H3

InChIKey

BMVDEFDNJLUPIK-UHFFFAOYSA-N

Compound name

2-ethenyl-4,4,6-trimethyl-5H-1,3-oxazin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 169.11028 Da
Monoisotopic Mass: 1.0
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]+	170.11756	135.7
[M+Na]+	192.09950	147.6
[M+NH4]+	187.14410	146.0
[M+K]+	208.07344	138.9
[M-H]-	168.10300	137.6
[M+Na-2H]-	190.08495	143.0
[M]+	169.10973	138.2
[M]-	169.11083	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe