CID 53422537
2-butenoic acid, 3-amino-, 1-methyl-1,3-propanediyl ester
Structural Information
- Molecular Formula
- C12H20N2O4
- SMILES
- CC(CCOC(=O)C=C(C)N)OC(=O)C=C(C)N
- InChI
- InChI=1S/C12H20N2O4/c1-8(13)6-11(15)17-5-4-10(3)18-12(16)7-9(2)14/h6-7,10H,4-5,13-14H2,1-3H3
- InChIKey
- MDAYOTNXXTVAMM-UHFFFAOYSA-N
- Compound name
- 3-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.14958 | 162.4 |
[M+Na]+ | 279.13152 | 166.1 |
[M+NH4]+ | 274.17612 | 165.3 |
[M+K]+ | 295.10546 | 164.9 |
[M-H]- | 255.13502 | 158.6 |
[M+Na-2H]- | 277.11697 | 160.2 |
[M]+ | 256.14175 | 160.9 |
[M]- | 256.14285 | 160.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.