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]+ 235.14411 154.3
[M+Na]+ 257.12605 162.0
[M-H]- 233.12955 159.7
[M+NH4]+ 252.17065 166.4
[M+K]+ 273.09999 162.4
[M+H-H2O]+ 217.13409 142.6
[M+HCOO]- 279.13503 175.2
[M+CH3COO]- 293.15068 198.7
[M+Na-2H]- 255.11150 157.3
[M]+ 234.13628 164.0
[M]- 234.13738 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.