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]+ 190.122646 138.4
[M+Na]+ 212.104588 146.1
[M-H]- 188.108094 144.0
[M+NH4]+ 207.149193 150.9
[M+K]+ 228.078528 146.4
[M+H-H2O]+ 172.112630 126.6
[M+HCOO]- 234.113571 159.4
[M+CH3COO]- 248.129221 188.9
[M+Na-2H]- 210.090036 142.8
[M]+ 189.11482142 147.5
[M]- 189.11591858 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.