CID 519834
3-ethylpent-1-yne
Structural Information
- Molecular Formula
- C7H12
- SMILES
- CCC(CC)C#C
- InChI
- InChI=1S/C7H12/c1-4-7(5-2)6-3/h1,7H,5-6H2,2-3H3
- InChIKey
- WGWGXWSBPXLXTA-UHFFFAOYSA-N
- Compound name
- 3-ethylpent-1-yne
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 97.101176 | 118.8 |
[M+Na]+ | 119.08312 | 128.0 |
[M-H]- | 95.086624 | 118.8 |
[M+NH4]+ | 114.12772 | 140.0 |
[M+K]+ | 135.05706 | 126.7 |
[M+H-H2O]+ | 79.091160 | 108.9 |
[M+HCOO]- | 141.09210 | 136.0 |
[M+CH3COO]- | 155.10775 | 179.0 |
[M+Na-2H]- | 117.06857 | 124.0 |
[M]+ | 96.093351 | 114.1 |
[M]- | 96.094449 | 114.1 |