CID 6483753

6-amino-2-methyl-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1C(=O)NC2=C(O1)C=CC(=C2)N
InChI
InChI=1S/C9H10N2O2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)
InChIKey
SUYYYBBFOLGROC-UHFFFAOYSA-N
Compound name
6-amino-2-methyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

178.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 136.4
[M+Na]+ 201.063448 145.2
[M-H]- 177.066954 138.8
[M+NH4]+ 196.108053 154.1
[M+K]+ 217.037388 142.8
[M+H-H2O]+ 161.071490 130.1
[M+HCOO]- 223.072431 155.2
[M+CH3COO]- 237.088081 180.6
[M+Na-2H]- 199.048896 143.4
[M]+ 178.07368142 133.2
[M]- 178.07477858 133.2
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