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
1
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]+ 323.19655 173.5
[M+Na]+ 345.17849 177.1
[M+NH4]+ 340.22309 184.0
[M+K]+ 361.15243 170.9
[M-H]- 321.18199 169.3
[M+Na-2H]- 343.16394 168.2
[M]+ 322.18872 172.4
[M]- 322.18982 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.