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]+ 221.128466 149.7
[M+Na]+ 243.110408 157.8
[M-H]- 219.113914 155.3
[M+NH4]+ 238.155013 162.4
[M+K]+ 259.084348 158.5
[M+H-H2O]+ 203.118450 138.2
[M+HCOO]- 265.119391 170.9
[M+CH3COO]- 279.135041 195.8
[M+Na-2H]- 241.095856 153.2
[M]+ 220.12064142 159.1
[M]- 220.12173858 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.