CID 593368
2-methylindolizine-6-carbonitrile
Structural Information
- Molecular Formula
- C10H8N2
- SMILES
- CC1=CN2C=C(C=CC2=C1)C#N
- InChI
- InChI=1S/C10H8N2/c1-8-4-10-3-2-9(5-11)7-12(10)6-8/h2-4,6-7H,1H3
- InChIKey
- DDBAKJFTSMOWIT-UHFFFAOYSA-N
- Compound name
- 2-methylindolizine-6-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.07602 | 133.1 |
[M+Na]+ | 179.05796 | 146.4 |
[M-H]- | 155.06146 | 136.3 |
[M+NH4]+ | 174.10256 | 153.8 |
[M+K]+ | 195.03190 | 141.1 |
[M+H-H2O]+ | 139.06600 | 120.4 |
[M+HCOO]- | 201.06694 | 154.3 |
[M+CH3COO]- | 215.08259 | 146.6 |
[M+Na-2H]- | 177.04341 | 140.2 |
[M]+ | 156.06819 | 130.2 |
[M]- | 156.06929 | 130.2 |