CID 53481663
Pentadecanoylglycine
Structural Information
- Molecular Formula
- C17H33NO3
- SMILES
- CCCCCCCCCCCCCCC(=O)NCC(=O)O
- InChI
- InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18-15-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)
- InChIKey
- GFPGAMQTXLSWHM-UHFFFAOYSA-N
- Compound name
- 2-(pentadecanoylamino)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 300.25331 | 180.5 |
[M+Na]+ | 322.23525 | 181.9 |
[M-H]- | 298.23875 | 177.3 |
[M+NH4]+ | 317.27985 | 194.6 |
[M+K]+ | 338.20919 | 179.0 |
[M+H-H2O]+ | 282.24329 | 173.5 |
[M+HCOO]- | 344.24423 | 199.3 |
[M+CH3COO]- | 358.25988 | 207.7 |
[M+Na-2H]- | 320.22070 | 178.9 |
[M]+ | 299.24548 | 184.7 |
[M]- | 299.24658 | 184.7 |