CID 68599267

119095-00-0

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CN1CCOC2=C1C=CC(=C2)O

InChI

InChI=1S/C9H11NO2/c1-10-4-5-12-9-6-7(11)2-3-8(9)10/h2-3,6,11H,4-5H2,1H3

InChIKey

HQPAKPUZWRXNQS-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 165.07898 Da
Monoisotopic Mass: 1.4
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]+	166.08626	132.6
[M+Na]+	188.06820	146.3
[M+NH4]+	183.11280	141.7
[M+K]+	204.04214	140.3
[M-H]-	164.07170	136.0
[M+Na-2H]-	186.05365	138.3
[M]+	165.07843	135.5
[M]-	165.07953	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe