CID 15898

3-ethyl-1-methyl-3-phenylazetidin-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
CCC1(CN(C1=O)C)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c1-3-12(9-13(2)11(12)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKey
MPEXVFWFXHUJME-UHFFFAOYSA-N
Compound name
3-ethyl-1-methyl-3-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

189.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 139.5
[M+Na]+ 212.10459 147.3
[M-H]- 188.10809 145.2
[M+NH4]+ 207.14919 153.8
[M+K]+ 228.07853 147.7
[M+H-H2O]+ 172.11263 128.6
[M+HCOO]- 234.11357 160.6
[M+CH3COO]- 248.12922 187.4
[M+Na-2H]- 210.09004 145.6
[M]+ 189.11482 148.6
[M]- 189.11592 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe