CID 24209785

39629-39-5

Structural Information

Molecular Formula
C12H15NO
SMILES
CCC1C(N(C1=O)C)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c1-3-10-11(13(2)12(10)14)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3
InChIKey
CPRACZNLDSZARJ-UHFFFAOYSA-N
Compound name
3-ethyl-1-methyl-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 140.0
[M+Na]+ 212.10459 149.4
[M+NH4]+ 207.14919 144.7
[M+K]+ 228.07853 144.3
[M-H]- 188.10809 140.6
[M+Na-2H]- 210.09004 145.0
[M]+ 189.11482 140.4
[M]- 189.11592 140.4
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

No patent data available for this compound.