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 138.4
[M+Na]+ 212.10459 146.1
[M-H]- 188.10809 144.0
[M+NH4]+ 207.14919 150.9
[M+K]+ 228.07853 146.4
[M+H-H2O]+ 172.11263 126.6
[M+HCOO]- 234.11357 159.4
[M+CH3COO]- 248.12922 188.9
[M+Na-2H]- 210.09004 142.8
[M]+ 189.11482 147.5
[M]- 189.11592 147.5
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.