CID 263650
2-(1-thiophen-2-yl-ethylidene)-malononitrile
Structural Information
- Molecular Formula
- C9H6N2S
- SMILES
- CC(=C(C#N)C#N)C1=CC=CS1
- InChI
- InChI=1S/C9H6N2S/c1-7(8(5-10)6-11)9-3-2-4-12-9/h2-4H,1H3
- InChIKey
- IVSVAOOOAGLVJQ-UHFFFAOYSA-N
- Compound name
- 2-(1-thiophen-2-ylethylidene)propanedinitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 175.03244 | 161.7 |
[M+Na]+ | 197.01438 | 172.1 |
[M-H]- | 173.01788 | 166.2 |
[M+NH4]+ | 192.05898 | 176.7 |
[M+K]+ | 212.98832 | 168.6 |
[M+H-H2O]+ | 157.02242 | 146.6 |
[M+HCOO]- | 219.02336 | 170.5 |
[M+CH3COO]- | 233.03901 | 212.0 |
[M+Na-2H]- | 194.99983 | 160.0 |
[M]+ | 174.02461 | 154.3 |
[M]- | 174.02571 | 154.3 |