CID 301730

21744-83-2

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1C(=O)NC2=CC=CC=C2O1
InChI
InChI=1S/C9H9NO2/c1-6-9(11)10-7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11)
InChIKey
PILVMCZSXIINLV-UHFFFAOYSA-N
Compound name
2-methyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

167
Patents

163.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.8
[M+Na]+ 186.05254 145.5
[M+NH4]+ 181.09714 140.7
[M+K]+ 202.02648 139.4
[M-H]- 162.05604 134.9
[M+Na-2H]- 184.03799 137.4
[M]+ 163.06277 134.6
[M]- 163.06387 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe