CID 151262
5578-98-3
Structural Information
- Molecular Formula
- C11H13NO
- SMILES
- CC1(CCC(=O)N1)C2=CC=CC=C2
- InChI
- InChI=1S/C11H13NO/c1-11(8-7-10(13)12-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
- InChIKey
- QQPZUNZVKFTDSY-UHFFFAOYSA-N
- Compound name
- 5-methyl-5-phenylpyrrolidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.10700 | 137.8 |
[M+Na]+ | 198.08894 | 145.4 |
[M-H]- | 174.09244 | 141.9 |
[M+NH4]+ | 193.13354 | 159.6 |
[M+K]+ | 214.06288 | 141.9 |
[M+H-H2O]+ | 158.09698 | 131.6 |
[M+HCOO]- | 220.09792 | 158.8 |
[M+CH3COO]- | 234.11357 | 175.4 |
[M+Na-2H]- | 196.07439 | 142.8 |
[M]+ | 175.09917 | 133.8 |
[M]- | 175.10027 | 133.8 |