CID 28389

3-phenylazetidin-2-one

Structural Information

Molecular Formula
C9H9NO
SMILES
C1C(C(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO/c11-9-8(6-10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKey
FLYOGASEASLVLV-UHFFFAOYSA-N
Compound name
3-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

147.06842 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 125.6
[M+Na]+ 170.05764 132.4
[M-H]- 146.06114 129.6
[M+NH4]+ 165.10224 138.5
[M+K]+ 186.03158 132.5
[M+H-H2O]+ 130.06568 114.2
[M+HCOO]- 192.06662 146.2
[M+CH3COO]- 206.08227 175.4
[M+Na-2H]- 168.04309 132.6
[M]+ 147.06787 131.2
[M]- 147.06897 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

No literature data available for this compound.

Patent stripe

patents stripe