CID 93133
N-lauroyl-l-glutamic acid
Structural Information
- Molecular Formula
- C17H31NO5
- SMILES
- CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
- InChI
- InChI=1S/C17H31NO5/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t14-/m0/s1
- InChIKey
- AVBJHQDHVYGQLS-AWEZNQCLSA-N
- Compound name
- (2S)-2-(dodecanoylamino)pentanedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 330.22748 | 185.0 |
[M+Na]+ | 352.20942 | 185.6 |
[M-H]- | 328.21292 | 180.5 |
[M+NH4]+ | 347.25402 | 196.7 |
[M+K]+ | 368.18336 | 183.5 |
[M+H-H2O]+ | 312.21746 | 178.0 |
[M+HCOO]- | 374.21840 | 200.9 |
[M+CH3COO]- | 388.23405 | 210.2 |
[M+Na-2H]- | 350.19487 | 180.6 |
[M]+ | 329.21965 | 188.1 |
[M]- | 329.22075 | 188.1 |