CID 64064974

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

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CCN1C(C(CCC1=O)C(=O)O)C2=CN(N=C2)C
InChI
InChI=1S/C12H17N3O3/c1-3-15-10(16)5-4-9(12(17)18)11(15)8-6-13-14(2)7-8/h6-7,9,11H,3-5H2,1-2H3,(H,17,18)
InChIKey
BSGFYDZTLSLFCP-UHFFFAOYSA-N
Compound name
1-ethyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.134276 157.8
[M+Na]+ 274.116218 165.4
[M-H]- 250.119724 159.3
[M+NH4]+ 269.160823 172.1
[M+K]+ 290.090158 162.4
[M+H-H2O]+ 234.124260 149.6
[M+HCOO]- 296.125201 173.7
[M+CH3COO]- 310.140851 192.8
[M+Na-2H]- 272.101666 156.8
[M]+ 251.12645142 156.2
[M]- 251.12754858 156.2
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.