CID 54593707

1-methyl-2-(1-methyl-1h-pyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)O
InChI
InChI=1S/C11H15N3O3/c1-13-6-7(5-12-13)10-8(11(16)17)3-4-9(15)14(10)2/h5-6,8,10H,3-4H2,1-2H3,(H,16,17)
InChIKey
VZDOKKBGVJODKO-UHFFFAOYSA-N
Compound name
1-methyl-2-(1-methylpyrazol-4-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.

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No literature data available for this compound.

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No patent data available for this compound.