CID 99713738

Rac-(2r,3r)-1-methyl-2-(1-methyl-1h-pyrazol-5-yl)-6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CN1[C@@H]([C@H](CCC1=O)C(=O)O)C2=CC=NN2C
InChI
InChI=1S/C11H15N3O3/c1-13-9(15)4-3-7(11(16)17)10(13)8-5-6-12-14(8)2/h5-7,10H,3-4H2,1-2H3,(H,16,17)/t7-,10-/m0/s1
InChIKey
JORYJBDPEUADQO-XVKPBYJWSA-N
Compound name
(2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.118616 153.3
[M+Na]+ 260.100558 161.4
[M-H]- 236.104064 155.0
[M+NH4]+ 255.145163 168.2
[M+K]+ 276.074498 158.7
[M+H-H2O]+ 220.108600 145.3
[M+HCOO]- 282.109541 169.6
[M+CH3COO]- 296.125191 189.8
[M+Na-2H]- 258.086006 152.9
[M]+ 237.11079142 151.4
[M]- 237.11188858 151.4
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.