CID 7129269

(2s,4r)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C16H23NO4
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)C23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C16H23NO4/c18-12-4-13(14(19)20)17(8-12)15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,18H,1-8H2,(H,19,20)/t9?,10?,11?,12-,13+,16?/m1/s1
InChIKey
BRKBIWGWCNIXKI-OPLYUGDSSA-N
Compound name
(2S,4R)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 167.0
[M+Na]+ 316.15194 167.3
[M-H]- 292.15544 160.8
[M+NH4]+ 311.19654 188.0
[M+K]+ 332.12588 163.9
[M+H-H2O]+ 276.15998 161.2
[M+HCOO]- 338.16092 166.9
[M+CH3COO]- 352.17657 172.9
[M+Na-2H]- 314.13739 170.5
[M]+ 293.16217 164.3
[M]- 293.16327 164.3
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.