CID 7019889
82038-34-4
Structural Information
- Molecular Formula
- C15H21NO5
- SMILES
- CC(C)(C)OC(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)O
- InChI
- InChI=1S/C15H21NO5/c1-15(2,3)21-14(20)16(4)12(13(18)19)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,18,19)/t12-/m0/s1
- InChIKey
- APVBZIOLJVJCLT-LBPRGKRZSA-N
- Compound name
- (2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 296.14925 | 167.6 |
[M+Na]+ | 318.13119 | 171.9 |
[M-H]- | 294.13469 | 169.7 |
[M+NH4]+ | 313.17579 | 181.8 |
[M+K]+ | 334.10513 | 172.1 |
[M+H-H2O]+ | 278.13923 | 161.4 |
[M+HCOO]- | 340.14017 | 185.7 |
[M+CH3COO]- | 354.15582 | 203.6 |
[M+Na-2H]- | 316.11664 | 168.2 |
[M]+ | 295.14142 | 170.1 |
[M]- | 295.14252 | 170.1 |
Literature stripe
No literature data available for this compound.