CID 20571244

6,8-dimethyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=CC(=C2C(=C1)NCCO2)C

InChI

InChI=1S/C10H13NO/c1-7-5-8(2)10-9(6-7)11-3-4-12-10/h5-6,11H,3-4H2,1-2H3

InChIKey

HOZBUSLWBZQCSC-UHFFFAOYSA-N

Compound name

6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 163.09972 Da
Monoisotopic Mass: 2.4
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]+	164.10700	134.0
[M+Na]+	186.08894	147.9
[M+NH4]+	181.13354	143.5
[M+K]+	202.06288	141.1
[M-H]-	162.09244	137.8
[M+Na-2H]-	184.07439	139.9
[M]+	163.09917	137.1
[M]-	163.10027	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe