CID 165855602

1-(4-amino-2-ethoxyphenyl)-3,3-dimethylazetidin-2-one

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCOC1=C(C=CC(=C1)N)N2CC(C2=O)(C)C
InChI
InChI=1S/C13H18N2O2/c1-4-17-11-7-9(14)5-6-10(11)15-8-13(2,3)12(15)16/h5-7H,4,8,14H2,1-3H3
InChIKey
JHSJAVHJAZMBPL-UHFFFAOYSA-N
Compound name
1-(4-amino-2-ethoxyphenyl)-3,3-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.3
[M+Na]+ 257.126048 162.0
[M-H]- 233.129554 159.7
[M+NH4]+ 252.170653 166.4
[M+K]+ 273.099988 162.4
[M+H-H2O]+ 217.134090 142.6
[M+HCOO]- 279.135031 175.2
[M+CH3COO]- 293.150681 198.7
[M+Na-2H]- 255.111496 157.3
[M]+ 234.13628142 164.0
[M]- 234.13737858 164.0
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.