CID 22323483

103440-73-9

Structural Information

Molecular Formula
C9H9NO2
SMILES
CN1CC(=O)OC2=CC=CC=C21
InChI
InChI=1S/C9H9NO2/c1-10-6-9(11)12-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3
InChIKey
QUCLYAXKXXTPSY-UHFFFAOYSA-N
Compound name
4-methyl-3H-1,4-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

163.06332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.2
[M+Na]+ 186.05254 139.3
[M-H]- 162.05604 134.2
[M+NH4]+ 181.09714 149.6
[M+K]+ 202.02648 138.3
[M+H-H2O]+ 146.06058 123.8
[M+HCOO]- 208.06152 150.2
[M+CH3COO]- 222.07717 177.5
[M+Na-2H]- 184.03799 139.2
[M]+ 163.06277 130.1
[M]- 163.06387 130.1
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