CID 89032

4-methyl-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula
C9H9NO2
SMILES
CN1C(=O)COC2=CC=CC=C21
InChI
InChI=1S/C9H9NO2/c1-10-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3
InChIKey
DBJMEBUKQVZWMD-UHFFFAOYSA-N
Compound name
4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

465
Patents

163.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.3
[M+Na]+ 186.05254 145.5
[M+NH4]+ 181.09714 140.5
[M+K]+ 202.02648 139.1
[M-H]- 162.05604 134.9
[M+Na-2H]- 184.03799 137.5
[M]+ 163.06277 134.4
[M]- 163.06387 134.4
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

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