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]+ 235.14411 154.9
[M+Na]+ 257.12605 161.7
[M-H]- 233.12955 158.1
[M+NH4]+ 252.17065 171.0
[M+K]+ 273.09999 160.3
[M+H-H2O]+ 217.13409 148.2
[M+HCOO]- 279.13503 171.4
[M+CH3COO]- 293.15068 193.9
[M+Na-2H]- 255.11150 160.6
[M]+ 234.13628 153.3
[M]- 234.13738 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.