CID 12859733
1-(prop-2-yn-1-yl)adamantane
Structural Information
- Molecular Formula
- C13H18
- SMILES
- C#CCC12CC3CC(C1)CC(C3)C2
- InChI
- InChI=1S/C13H18/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13/h1,10-12H,3-9H2
- InChIKey
- YGMWGIQNYLNHHN-UHFFFAOYSA-N
- Compound name
- 1-prop-2-ynyladamantane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 175.14813 | 145.4 |
[M+Na]+ | 197.13007 | 153.2 |
[M-H]- | 173.13357 | 141.8 |
[M+NH4]+ | 192.17467 | 170.3 |
[M+K]+ | 213.10401 | 141.5 |
[M+H-H2O]+ | 157.13811 | 135.3 |
[M+HCOO]- | 219.13905 | 149.5 |
[M+CH3COO]- | 233.15470 | 154.0 |
[M+Na-2H]- | 195.11552 | 154.8 |
[M]+ | 174.14030 | 140.0 |
[M]- | 174.14140 | 140.0 |