CID 200319
1507-78-4
Structural Information
- Molecular Formula
- C14H21NO2
- SMILES
- CCCC1(CCN(C1)C)C2=CC(=C(C=C2)O)O
- InChI
- InChI=1S/C14H21NO2/c1-3-6-14(7-8-15(2)10-14)11-4-5-12(16)13(17)9-11/h4-5,9,16-17H,3,6-8,10H2,1-2H3
- InChIKey
- UBGKRXUHHVICEH-UHFFFAOYSA-N
- Compound name
- 4-(1-methyl-3-propylpyrrolidin-3-yl)benzene-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 236.16451 | 154.9 |
[M+Na]+ | 258.14645 | 162.2 |
[M-H]- | 234.14995 | 157.8 |
[M+NH4]+ | 253.19105 | 174.2 |
[M+K]+ | 274.12039 | 158.3 |
[M+H-H2O]+ | 218.15449 | 148.9 |
[M+HCOO]- | 280.15543 | 173.4 |
[M+CH3COO]- | 294.17108 | 187.2 |
[M+Na-2H]- | 256.13190 | 156.7 |
[M]+ | 235.15668 | 153.1 |
[M]- | 235.15778 | 153.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.