CID 124914
62178-61-4
Structural Information
- Molecular Formula
- C9H12N2OS
- SMILES
- CCCC1=NC=CC(=C1)C(=S=O)N
- InChI
- InChI=1S/C9H12N2OS/c1-2-3-8-6-7(4-5-11-8)9(10)13-12/h4-6H,2-3,10H2,1H3
- InChIKey
- IMKGWDRATOZYNY-UHFFFAOYSA-N
- Compound name
- (2-propylpyridin-4-yl)-sulfinylmethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 197.07431 | 140.9 |
[M+Na]+ | 219.05625 | 148.9 |
[M-H]- | 195.05975 | 142.9 |
[M+NH4]+ | 214.10085 | 159.1 |
[M+K]+ | 235.03019 | 145.0 |
[M+H-H2O]+ | 179.06429 | 134.2 |
[M+HCOO]- | 241.06523 | 158.8 |
[M+CH3COO]- | 255.08088 | 183.5 |
[M+Na-2H]- | 217.04170 | 143.2 |
[M]+ | 196.06648 | 141.3 |
[M]- | 196.06758 | 141.3 |
Literature stripe
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