CID 9903482
N-acetyl-l-carnosine
Structural Information
- Molecular Formula
- C11H16N4O4
- SMILES
- CC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O
- InChI
- InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m0/s1
- InChIKey
- BKAYIFDRRZZKNF-VIFPVBQESA-N
- Compound name
- (2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 269.12444 | 161.1 |
[M+Na]+ | 291.10638 | 165.1 |
[M+NH4]+ | 286.15098 | 163.5 |
[M+K]+ | 307.08032 | 166.2 |
[M-H]- | 267.10988 | 157.4 |
[M+Na-2H]- | 289.09183 | 161.1 |
[M]+ | 268.11661 | 159.6 |
[M]- | 268.11771 | 159.6 |