CID 57444271

1-(3-acetylphenyl)azetidin-2-one

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(=O)C1=CC(=CC=C1)N2CCC2=O
InChI
InChI=1S/C11H11NO2/c1-8(13)9-3-2-4-10(7-9)12-6-5-11(12)14/h2-4,7H,5-6H2,1H3
InChIKey
SYXZFPHDSAVEIM-UHFFFAOYSA-N
Compound name
1-(3-acetylphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

189.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 136.8
[M+Na]+ 212.06820 143.8
[M-H]- 188.07170 142.2
[M+NH4]+ 207.11280 148.7
[M+K]+ 228.04214 144.8
[M+H-H2O]+ 172.07624 124.7
[M+HCOO]- 234.07718 157.5
[M+CH3COO]- 248.09283 186.9
[M+Na-2H]- 210.05365 141.1
[M]+ 189.07843 145.2
[M]- 189.07953 145.2
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