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 153.3
[M+Na]+ 260.10056 161.4
[M-H]- 236.10406 155.0
[M+NH4]+ 255.14516 168.2
[M+K]+ 276.07450 158.7
[M+H-H2O]+ 220.10860 145.3
[M+HCOO]- 282.10954 169.6
[M+CH3COO]- 296.12519 189.8
[M+Na-2H]- 258.08601 152.9
[M]+ 237.11079 151.4
[M]- 237.11189 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.