CID 738040
(3s)-3-amino-3-(2h-1,3-benzodioxol-5-yl)propanoic acid hydrochloride
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- C1OC2=C(O1)C=C(C=C2)[C@H](CC(=O)O)N
- InChI
- InChI=1S/C10H11NO4/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8/h1-3,7H,4-5,11H2,(H,12,13)/t7-/m0/s1
- InChIKey
- DJWMFJZOSZPAHI-ZETCQYMHSA-N
- Compound name
- (3S)-3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 143.9 |
[M+Na]+ | 232.05802 | 153.0 |
[M+NH4]+ | 227.10262 | 150.7 |
[M+K]+ | 248.03196 | 152.1 |
[M-H]- | 208.06152 | 146.8 |
[M+Na-2H]- | 230.04347 | 145.7 |
[M]+ | 209.06825 | 145.6 |
[M]- | 209.06935 | 145.6 |
Literature stripe
No literature data available for this compound.