CID 32384
Brn 1528599
Structural Information
- Molecular Formula
- C12H16N2S
- SMILES
- CN(C)CCSC1=CC2=CC=CC=C2N1
- InChI
- InChI=1S/C12H16N2S/c1-14(2)7-8-15-12-9-10-5-3-4-6-11(10)13-12/h3-6,9,13H,7-8H2,1-2H3
- InChIKey
- HFWAIDWVAYJYPF-UHFFFAOYSA-N
- Compound name
- 2-(1H-indol-2-ylsulfanyl)-N,N-dimethylethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 221.11070 | 147.6 |
[M+Na]+ | 243.09264 | 156.6 |
[M-H]- | 219.09614 | 151.4 |
[M+NH4]+ | 238.13724 | 168.4 |
[M+K]+ | 259.06658 | 152.7 |
[M+H-H2O]+ | 203.10068 | 141.2 |
[M+HCOO]- | 265.10162 | 166.9 |
[M+CH3COO]- | 279.11727 | 190.7 |
[M+Na-2H]- | 241.07809 | 151.4 |
[M]+ | 220.10287 | 151.7 |
[M]- | 220.10397 | 151.7 |
Literature stripe
No literature data available for this compound.