CID 56842695
Einecs 283-219-6
Structural Information
- Molecular Formula
- C17H31NO3
- SMILES
- CCCCCCCCCCCCCNC(=O)/C=C\C(=O)O
- InChI
- InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16(19)13-14-17(20)21/h13-14H,2-12,15H2,1H3,(H,18,19)(H,20,21)/b14-13-
- InChIKey
- KQLYTYAPJQNMST-YPKPFQOOSA-N
- Compound name
- (Z)-4-oxo-4-(tridecylamino)but-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 298.23768 | 179.2 |
[M+Na]+ | 320.21962 | 180.9 |
[M-H]- | 296.22312 | 176.1 |
[M+NH4]+ | 315.26422 | 193.3 |
[M+K]+ | 336.19356 | 177.5 |
[M+H-H2O]+ | 280.22766 | 172.3 |
[M+HCOO]- | 342.22860 | 198.2 |
[M+CH3COO]- | 356.24425 | 206.2 |
[M+Na-2H]- | 318.20507 | 177.6 |
[M]+ | 297.22985 | 182.6 |
[M]- | 297.23095 | 182.6 |
Literature stripe
No literature data available for this compound.