CID 139022826

1-(5-amino-2-methoxyphenyl)-3,3-dimethylazetidin-2-one

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC1(CN(C1=O)C2=C(C=CC(=C2)N)OC)C
InChI
InChI=1S/C12H16N2O2/c1-12(2)7-14(11(12)15)9-6-8(13)4-5-10(9)16-3/h4-6H,7,13H2,1-3H3
InChIKey
OKSPQKZPVVQLQA-UHFFFAOYSA-N
Compound name
1-(5-amino-2-methoxyphenyl)-3,3-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.7
[M+Na]+ 243.11041 157.8
[M-H]- 219.11391 155.3
[M+NH4]+ 238.15501 162.4
[M+K]+ 259.08435 158.5
[M+H-H2O]+ 203.11845 138.2
[M+HCOO]- 265.11939 170.9
[M+CH3COO]- 279.13504 195.8
[M+Na-2H]- 241.09586 153.2
[M]+ 220.12064 159.1
[M]- 220.12174 159.1
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.