CID 21824043

36884-17-0

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1C(NC2=CC=CC=C2O1)CO

InChI

InChI=1S/C9H11NO2/c11-5-7-6-12-9-4-2-1-3-8(9)10-7/h1-4,7,10-11H,5-6H2

InChIKey

HGLQOUQCZZTDIV-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-1,4-benzoxazin-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 165.07898 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]+	166.08626	133.4
[M+Na]+	188.06820	146.1
[M+NH4]+	183.11280	142.1
[M+K]+	204.04214	140.2
[M-H]-	164.07170	136.1
[M+Na-2H]-	186.05365	138.6
[M]+	165.07843	135.9
[M]-	165.07953	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe