CID 2756111
(2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
Structural Information
- Molecular Formula
- C21H23NO4
- SMILES
- CCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
- InChI
- InChI=1S/C21H23NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)/t19-/m1/s1
- InChIKey
- VCFCFPNRQDANPN-LJQANCHMSA-N
- Compound name
- (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 354.17000 | 185.3 |
[M+Na]+ | 376.15194 | 189.7 |
[M-H]- | 352.15544 | 188.6 |
[M+NH4]+ | 371.19654 | 200.7 |
[M+K]+ | 392.12588 | 185.8 |
[M+H-H2O]+ | 336.15998 | 178.2 |
[M+HCOO]- | 398.16092 | 203.7 |
[M+CH3COO]- | 412.17657 | 215.1 |
[M+Na-2H]- | 374.13739 | 186.1 |
[M]+ | 353.16217 | 188.1 |
[M]- | 353.16327 | 188.1 |