CID 99713738

1807939-93-0

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]+ 238.11862 154.4
[M+Na]+ 260.10056 164.7
[M+NH4]+ 255.14516 159.8
[M+K]+ 276.07450 162.7
[M-H]- 236.10406 154.0
[M+Na-2H]- 258.08601 157.4
[M]+ 237.11079 155.3
[M]- 237.11189 155.3
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.