CID 46783242

565453-40-9

Structural Information

Molecular Formula
C17H26N2O4
SMILES
C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C(=O)O
InChI
InChI=1S/C17H26N2O4/c20-14(19-3-1-2-13(19)15(21)22)9-18-16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-13,18,23H,1-10H2,(H,21,22)/t11?,12?,13-,16?,17?/m0/s1
InChIKey
KWZNLUFQUDQQJU-FBXIQOIYSA-N
Compound name
(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.196546 172.5
[M+Na]+ 345.178488 172.1
[M-H]- 321.181994 165.8
[M+NH4]+ 340.223093 193.7
[M+K]+ 361.152428 168.6
[M+H-H2O]+ 305.186530 166.1
[M+HCOO]- 367.187471 173.1
[M+CH3COO]- 381.203121 177.7
[M+Na-2H]- 343.163936 178.2
[M]+ 322.18872142 169.7
[M]- 322.18981858 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.