CID 54544541

1-(4-hydroxyphenyl)azetidin-2-one

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CN(C1=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C9H9NO2/c11-8-3-1-7(2-4-8)10-6-5-9(10)12/h1-4,11H,5-6H2
InChIKey
ZFPKIQYKTUWFAQ-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

163.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 128.6
[M+Na]+ 186.05254 136.1
[M-H]- 162.05604 132.9
[M+NH4]+ 181.09714 141.0
[M+K]+ 202.02648 136.8
[M+H-H2O]+ 146.06058 117.1
[M+HCOO]- 208.06152 149.3
[M+CH3COO]- 222.07717 178.5
[M+Na-2H]- 184.03799 134.8
[M]+ 163.06277 135.9
[M]- 163.06387 135.9
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