CID 2763839

39522-26-4

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1=CC2=C(C=C1)OCC(=O)N2
InChI
InChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)
InChIKey
JSBZPNRRLJLZBE-UHFFFAOYSA-N
Compound name
6-methyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

424
Patents

163.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.0
[M+Na]+ 186.05254 139.7
[M-H]- 162.05604 133.6
[M+NH4]+ 181.09714 149.7
[M+K]+ 202.02648 137.8
[M+H-H2O]+ 146.06058 124.9
[M+HCOO]- 208.06152 149.5
[M+CH3COO]- 222.07717 174.9
[M+Na-2H]- 184.03799 139.5
[M]+ 163.06277 129.1
[M]- 163.06387 129.1
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