CID 58154388

1-(4-aminophenyl)-3,3-dimethylazetidin-2-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1(CN(C1=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C11H14N2O/c1-11(2)7-13(10(11)14)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3
InChIKey
JAVORSDDGKMCPH-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3,3-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 142.3
[M+Na]+ 213.09983 150.3
[M-H]- 189.10333 147.9
[M+NH4]+ 208.14443 156.1
[M+K]+ 229.07377 150.6
[M+H-H2O]+ 173.10787 131.0
[M+HCOO]- 235.10881 163.9
[M+CH3COO]- 249.12446 189.6
[M+Na-2H]- 211.08528 147.2
[M]+ 190.11006 149.7
[M]- 190.11116 149.7
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

patents stripe