CID 121553388

4-(3-aminophenoxy)azetidin-2-one

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1C(NC1=O)OC2=CC=CC(=C2)N
InChI
InChI=1S/C9H10N2O2/c10-6-2-1-3-7(4-6)13-9-5-8(12)11-9/h1-4,9H,5,10H2,(H,11,12)
InChIKey
AFCFQQHSCJFJPI-UHFFFAOYSA-N
Compound name
4-(3-aminophenoxy)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 135.4
[M+Na]+ 201.06345 141.7
[M-H]- 177.06695 139.0
[M+NH4]+ 196.10805 146.4
[M+K]+ 217.03739 142.1
[M+H-H2O]+ 161.07149 122.9
[M+HCOO]- 223.07243 156.3
[M+CH3COO]- 237.08808 182.7
[M+Na-2H]- 199.04890 140.5
[M]+ 178.07368 140.8
[M]- 178.07478 140.8
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.