CID 43811105

566157-03-7

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CN1CCOC2=C1C=CC(=C2)C#N

InChI

InChI=1S/C10H10N2O/c1-12-4-5-13-10-6-8(7-11)2-3-9(10)12/h2-3,6H,4-5H2,1H3

InChIKey

MBNHXEGWTJIPMG-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 174.07932 Da
Monoisotopic Mass: 1.5
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]+	175.08660	140.6
[M+Na]+	197.06854	153.8
[M+NH4]+	192.11314	146.3
[M+K]+	213.04248	144.0
[M-H]-	173.07204	136.9
[M+Na-2H]-	195.05399	143.9
[M]+	174.07877	140.7
[M]-	174.07987	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe