CID 255668
4-(3-pyrrolyl)butyric acid
Structural Information
- Molecular Formula
- C8H11NO2
- SMILES
- C1=CNC=C1CCCC(=O)O
- InChI
- InChI=1S/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)
- InChIKey
- ZILGRACWFSKIFU-UHFFFAOYSA-N
- Compound name
- 4-(1H-pyrrol-3-yl)butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 154.08626 | 133.0 |
[M+Na]+ | 176.06820 | 139.8 |
[M-H]- | 152.07170 | 132.4 |
[M+NH4]+ | 171.11280 | 152.9 |
[M+K]+ | 192.04214 | 137.4 |
[M+H-H2O]+ | 136.07624 | 127.1 |
[M+HCOO]- | 198.07718 | 153.9 |
[M+CH3COO]- | 212.09283 | 169.7 |
[M+Na-2H]- | 174.05365 | 137.1 |
[M]+ | 153.07843 | 131.4 |
[M]- | 153.07953 | 131.4 |