CID 14122208
112440-49-0
Structural Information
- Molecular Formula
- C9H11NS
- SMILES
- CC1=C(SC(=C1CC#N)C)C
- InChI
- InChI=1S/C9H11NS/c1-6-7(2)11-8(3)9(6)4-5-10/h4H2,1-3H3
- InChIKey
- GVRRCQCZKOPGDZ-UHFFFAOYSA-N
- Compound name
- 2-(2,4,5-trimethylthiophen-3-yl)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 166.06850 | 129.2 |
[M+Na]+ | 188.05044 | 140.9 |
[M+NH4]+ | 183.09504 | 135.4 |
[M+K]+ | 204.02438 | 131.5 |
[M-H]- | 164.05394 | 124.5 |
[M+Na-2H]- | 186.03589 | 132.3 |
[M]+ | 165.06067 | 129.2 |
[M]- | 165.06177 | 129.2 |