CID 557590
498-98-6
Structural Information
- Molecular Formula
- C6H9NO2
- SMILES
- C1C=CCNC1C(=O)O
- InChI
- InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)
- InChIKey
- YCQPUTODZKESPK-UHFFFAOYSA-N
- Compound name
- 1,2,3,6-tetrahydropyridine-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 128.07061 | 125.2 |
[M+Na]+ | 150.05255 | 130.9 |
[M-H]- | 126.05605 | 124.3 |
[M+NH4]+ | 145.09715 | 144.2 |
[M+K]+ | 166.02649 | 129.2 |
[M+H-H2O]+ | 110.06059 | 119.6 |
[M+HCOO]- | 172.06153 | 143.2 |
[M+CH3COO]- | 186.07718 | 164.3 |
[M+Na-2H]- | 148.03800 | 130.8 |
[M]+ | 127.06278 | 119.4 |
[M]- | 127.06388 | 119.4 |