CID 82229774

1268036-95-8

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CN1CCOC2=C1C=C(C=C2)OC

InChI

InChI=1S/C10H13NO2/c1-11-5-6-13-10-4-3-8(12-2)7-9(10)11/h3-4,7H,5-6H2,1-2H3

InChIKey

NEISNWKURCQMEE-UHFFFAOYSA-N

Compound name

6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.09464 Da
Monoisotopic Mass: 1.8
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]+	180.101916	136.3
[M+Na]+	202.083858	144.7
[M-H]-	178.087364	140.1
[M+NH4]+	197.128463	155.1
[M+K]+	218.057798	144.1
[M+H-H2O]+	162.091900	129.6
[M+HCOO]-	224.092841	155.8
[M+CH3COO]-	238.108491	181.4
[M+Na-2H]-	200.069306	144.7
[M]+	179.09409142	137.3
[M]-	179.09518858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe