CID 6433938
Alpha-(aminoethyldithio)cinnamic acid inner salt
Structural Information
- Molecular Formula
- C11H13NO2S2
- SMILES
- C1=CC=C(C=C1)/C=C(/C(=O)O)\SSCCN
- InChI
- InChI=1S/C11H13NO2S2/c12-6-7-15-16-10(11(13)14)8-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2,(H,13,14)/b10-8-
- InChIKey
- UWHAVVVOLNKMIC-NTMALXAHSA-N
- Compound name
- (Z)-2-(2-aminoethyldisulfanyl)-3-phenylprop-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.04605 | 154.6 |
[M+Na]+ | 278.02799 | 159.6 |
[M-H]- | 254.03149 | 155.2 |
[M+NH4]+ | 273.07259 | 170.3 |
[M+K]+ | 294.00193 | 153.7 |
[M+H-H2O]+ | 238.03603 | 148.0 |
[M+HCOO]- | 300.03697 | 164.7 |
[M+CH3COO]- | 314.05262 | 190.8 |
[M+Na-2H]- | 276.01344 | 153.5 |
[M]+ | 255.03822 | 154.4 |
[M]- | 255.03932 | 154.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.