CID 12310
2-pentyne
Structural Information
- Molecular Formula
- C5H8
- SMILES
- CCC#CC
- InChI
- InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3
- InChIKey
- NKTDTMONXHODTI-UHFFFAOYSA-N
- Compound name
- pent-2-yne
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 69.069876 | 109.8 |
[M+Na]+ | 91.051818 | 120.1 |
[M-H]- | 67.055324 | 110.1 |
[M+NH4]+ | 86.096423 | 132.2 |
[M+K]+ | 107.02576 | 119.0 |
[M+H-H2O]+ | 51.059860 | 100.3 |
[M+HCOO]- | 113.06080 | 128.6 |
[M+CH3COO]- | 127.07645 | 172.3 |
[M+Na-2H]- | 89.037266 | 117.3 |
[M]+ | 68.062051 | 105.0 |
[M]- | 68.063149 | 105.0 |