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]+ 323.19655 172.5
[M+Na]+ 345.17849 172.1
[M-H]- 321.18199 165.8
[M+NH4]+ 340.22309 193.7
[M+K]+ 361.15243 168.6
[M+H-H2O]+ 305.18653 166.1
[M+HCOO]- 367.18747 173.1
[M+CH3COO]- 381.20312 177.7
[M+Na-2H]- 343.16394 178.2
[M]+ 322.18872 169.7
[M]- 322.18982 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.