CID 21873887

221311-44-0

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)C=O

InChI

InChI=1S/C10H9NO3/c1-6-10(13)11-8-4-7(5-12)2-3-9(8)14-6/h2-6H,1H3,(H,11,13)

InChIKey

HOJDHYZTFHESMH-UHFFFAOYSA-N

Compound name

2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 191.05824 Da
Monoisotopic Mass: 0.7
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]+	192.065516	137.3
[M+Na]+	214.047458	146.7
[M-H]-	190.050964	140.2
[M+NH4]+	209.092063	155.0
[M+K]+	230.021398	144.5
[M+H-H2O]+	174.055500	131.1
[M+HCOO]-	236.056441	155.9
[M+CH3COO]-	250.072091	180.6
[M+Na-2H]-	212.032906	144.6
[M]+	191.05769142	136.9
[M]-	191.05878858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe