CID 11993875
(5-phenylthiophen-2-yl)methanamine hydrochloride
Structural Information
- Molecular Formula
- C11H11NS
- SMILES
- C1=CC=C(C=C1)C2=CC=C(S2)CN
- InChI
- InChI=1S/C11H11NS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2
- InChIKey
- PKRPFYKLLXGKDE-UHFFFAOYSA-N
- Compound name
- (5-phenylthiophen-2-yl)methanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 190.06850 | 138.8 |
[M+Na]+ | 212.05044 | 147.6 |
[M-H]- | 188.05394 | 145.8 |
[M+NH4]+ | 207.09504 | 160.5 |
[M+K]+ | 228.02438 | 143.2 |
[M+H-H2O]+ | 172.05848 | 132.7 |
[M+HCOO]- | 234.05942 | 160.3 |
[M+CH3COO]- | 248.07507 | 152.8 |
[M+Na-2H]- | 210.03589 | 141.5 |
[M]+ | 189.06067 | 138.8 |
[M]- | 189.06177 | 138.8 |