CID 522834
2-acetyl-1-pyrroline
Structural Information
- Molecular Formula
- C6H9NO
- SMILES
- CC(=O)C1=NCCC1
- InChI
- InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
- InChIKey
- DQBQWWSFRPLIAX-UHFFFAOYSA-N
- Compound name
- 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 112.07569 | 121.2 |
[M+Na]+ | 134.05763 | 128.7 |
[M-H]- | 110.06113 | 123.4 |
[M+NH4]+ | 129.10223 | 144.2 |
[M+K]+ | 150.03157 | 128.5 |
[M+H-H2O]+ | 94.065670 | 115.4 |
[M+HCOO]- | 156.06661 | 144.1 |
[M+CH3COO]- | 170.08226 | 167.4 |
[M+Na-2H]- | 132.04308 | 126.4 |
[M]+ | 111.06786 | 119.8 |
[M]- | 111.06896 | 119.8 |