CID 570854

1-phenylazetidin-2-one

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO/c11-9-6-7-10(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
OPISVEPYALEQJT-UHFFFAOYSA-N
Compound name
1-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1199
Patents

147.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 123.9
[M+Na]+ 170.05764 131.2
[M-H]- 146.06114 129.3
[M+NH4]+ 165.10224 137.5
[M+K]+ 186.03158 132.2
[M+H-H2O]+ 130.06568 112.3
[M+HCOO]- 192.06662 146.0
[M+CH3COO]- 206.08227 178.0
[M+Na-2H]- 168.04309 131.5
[M]+ 147.06787 131.3
[M]- 147.06897 131.3
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