CID 2776404

141103-93-7

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CN1CCOC2=C1C=CC(=C2)C=O

InChI

InChI=1S/C10H11NO2/c1-11-4-5-13-10-6-8(7-12)2-3-9(10)11/h2-3,6-7H,4-5H2,1H3

InChIKey

WJHBKMPLXRGBGM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 197
Patents: 177.07898 Da
Monoisotopic Mass: 1.3
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]+	178.08626	134.9
[M+Na]+	200.06820	143.6
[M-H]-	176.07170	138.8
[M+NH4]+	195.11280	153.8
[M+K]+	216.04214	142.4
[M+H-H2O]+	160.07624	128.3
[M+HCOO]-	222.07718	154.7
[M+CH3COO]-	236.09283	180.5
[M+Na-2H]-	198.05365	143.4
[M]+	177.07843	135.2
[M]-	177.07953	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe