CID 3056072
2-butyn-1-amine, n,n-bis(2-chloroethyl)-4-methoxy-, hydrochloride
Structural Information
- Molecular Formula
- C9H15Cl2NO
- SMILES
- COCC#CCN(CCCl)CCCl
- InChI
- InChI=1S/C9H15Cl2NO/c1-13-9-3-2-6-12(7-4-10)8-5-11/h4-9H2,1H3
- InChIKey
- XLVPAJIZGGUQJG-UHFFFAOYSA-N
- Compound name
- N,N-bis(2-chloroethyl)-4-methoxybut-2-yn-1-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.06035 | 144.1 |
[M+Na]+ | 246.04229 | 153.6 |
[M-H]- | 222.04579 | 144.2 |
[M+NH4]+ | 241.08689 | 162.3 |
[M+K]+ | 262.01623 | 149.1 |
[M+H-H2O]+ | 206.05033 | 134.6 |
[M+HCOO]- | 268.05127 | 154.7 |
[M+CH3COO]- | 282.06692 | 199.0 |
[M+Na-2H]- | 244.02774 | 147.8 |
[M]+ | 223.05252 | 144.6 |
[M]- | 223.05362 | 144.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.