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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 138.5
[M+Na]+ 214.04746 151.9
[M+NH4]+ 209.09206 146.3
[M+K]+ 230.02140 146.3
[M-H]- 190.05096 140.9
[M+Na-2H]- 212.03291 143.0
[M]+ 191.05769 141.0
[M]- 191.05879 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe