CID 568818

4-phenylazetidin-2-one

Structural Information

Molecular Formula
C9H9NO
SMILES
C1C(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO/c11-9-6-8(10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKey
MWKMQPSNTJCASD-UHFFFAOYSA-N
Compound name
4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

241
Patents

147.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 125.6
[M+Na]+ 170.057638 132.4
[M-H]- 146.061144 129.6
[M+NH4]+ 165.102243 138.5
[M+K]+ 186.031578 132.5
[M+H-H2O]+ 130.065680 114.2
[M+HCOO]- 192.066621 146.2
[M+CH3COO]- 206.082271 175.4
[M+Na-2H]- 168.043086 132.6
[M]+ 147.06787142 131.2
[M]- 147.06896858 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe