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]+ 294.169996 167.0
[M+Na]+ 316.151938 167.3
[M-H]- 292.155444 160.8
[M+NH4]+ 311.196543 188.0
[M+K]+ 332.125878 163.9
[M+H-H2O]+ 276.159980 161.2
[M+HCOO]- 338.160921 166.9
[M+CH3COO]- 352.176571 172.9
[M+Na-2H]- 314.137386 170.5
[M]+ 293.16217142 164.3
[M]- 293.16326858 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.