CID 91662786

1-(4-aminophenyl)azetidin-2-one

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CN(C1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H10N2O/c10-7-1-3-8(4-2-7)11-6-5-9(11)12/h1-4H,5-6,10H2
InChIKey
DZYOSBHMMCZFBG-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.4
[M+Na]+ 185.06854 138.4
[M-H]- 161.07204 136.5
[M+NH4]+ 180.11314 144.0
[M+K]+ 201.04248 139.1
[M+H-H2O]+ 145.07658 119.1
[M+HCOO]- 207.07752 153.7
[M+CH3COO]- 221.09317 183.0
[M+Na-2H]- 183.05399 137.1
[M]+ 162.07877 137.4
[M]- 162.07987 137.4
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