CID 29917

20024-63-9

Structural Information

Molecular Formula
C11H13NO
SMILES
CCC1(CNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c1-2-11(8-12-10(11)13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChIKey
QKXTXXKOSUMTNX-UHFFFAOYSA-N
Compound name
3-ethyl-3-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

175.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 136.9
[M+Na]+ 198.08894 143.8
[M-H]- 174.09244 141.1
[M+NH4]+ 193.13354 150.7
[M+K]+ 214.06288 143.5
[M+H-H2O]+ 158.09698 126.1
[M+HCOO]- 220.09792 156.8
[M+CH3COO]- 234.11357 180.8
[M+Na-2H]- 196.07439 143.6
[M]+ 175.09917 143.5
[M]- 175.10027 143.5
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