CID 504591

2-amino-7-isopropyl-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC(C)C1=CC2=C(C=C1)C(=O)OC(=N2)N
InChI
InChI=1S/C11H12N2O2/c1-6(2)7-3-4-8-9(5-7)13-11(12)15-10(8)14/h3-6H,1-2H3,(H2,12,13)
InChIKey
LUHHZIOKBMSKQG-UHFFFAOYSA-N
Compound name
2-amino-7-propan-2-yl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.2
[M+Na]+ 227.07909 153.2
[M-H]- 203.08259 147.5
[M+NH4]+ 222.12369 160.7
[M+K]+ 243.05303 151.4
[M+H-H2O]+ 187.08713 136.3
[M+HCOO]- 249.08807 164.7
[M+CH3COO]- 263.10372 189.4
[M+Na-2H]- 225.06454 150.3
[M]+ 204.08932 144.8
[M]- 204.09042 144.8
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

No patent data available for this compound.