CID 45791785

1-(6-amino-3,4-dihydro-2h-1,4-benzoxazin-4-yl)-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)(C)C(=O)N1CCOC2=C1C=C(C=C2)N
InChI
InChI=1S/C13H18N2O2/c1-13(2,3)12(16)15-6-7-17-11-5-4-9(14)8-10(11)15/h4-5,8H,6-7,14H2,1-3H3
InChIKey
SOXZPKHZFLAKRK-UHFFFAOYSA-N
Compound name
1-(6-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.9
[M+Na]+ 257.126048 161.7
[M-H]- 233.129554 158.1
[M+NH4]+ 252.170653 171.0
[M+K]+ 273.099988 160.3
[M+H-H2O]+ 217.134090 148.2
[M+HCOO]- 279.135031 171.4
[M+CH3COO]- 293.150681 193.9
[M+Na-2H]- 255.111496 160.6
[M]+ 234.13628142 153.3
[M]- 234.13737858 153.3
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.