CID 28389

3-phenyl-2-azetidinone

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]+ 148.075696 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

No literature data available for this compound.

Patent stripe

patents stripe