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]+ 163.086596 131.4
[M+Na]+ 185.068538 138.4
[M-H]- 161.072044 136.5
[M+NH4]+ 180.113143 144.0
[M+K]+ 201.042478 139.1
[M+H-H2O]+ 145.076580 119.1
[M+HCOO]- 207.077521 153.7
[M+CH3COO]- 221.093171 183.0
[M+Na-2H]- 183.053986 137.1
[M]+ 162.07877142 137.4
[M]- 162.07986858 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