CID 65295165

3-[4-(1-aminoethyl)phenyl]-1,3-oxazinan-2-one

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC(C1=CC=C(C=C1)N2CCCOC2=O)N
InChI
InChI=1S/C12H16N2O2/c1-9(13)10-3-5-11(6-4-10)14-7-2-8-16-12(14)15/h3-6,9H,2,7-8,13H2,1H3
InChIKey
BPBBHFHPMGPTKW-UHFFFAOYSA-N
Compound name
3-[4-(1-aminoethyl)phenyl]-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.3
[M+Na]+ 243.11041 162.0
[M+NH4]+ 238.15501 157.9
[M+K]+ 259.08435 156.6
[M-H]- 219.11391 155.1
[M+Na-2H]- 241.09586 156.2
[M]+ 220.12064 153.1
[M]- 220.12174 153.1
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.