CID 69398299

1709825-35-3

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1COC2=CC=CC(=C2N1)CO

InChI

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

InChIKey

PFNAQMAQQWVXIJ-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-1,4-benzoxazin-5-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 165.07898 Da
Monoisotopic Mass: 0.8
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]+	166.08626	132.7
[M+Na]+	188.06820	139.7
[M-H]-	164.07170	133.5
[M+NH4]+	183.11280	150.3
[M+K]+	204.04214	137.4
[M+H-H2O]+	148.07624	126.5
[M+HCOO]-	210.07718	149.5
[M+CH3COO]-	224.09283	144.8
[M+Na-2H]-	186.05365	141.4
[M]+	165.07843	129.2
[M]-	165.07953	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe