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
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 |