CID 137832752

2127056-20-4

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CN1CCC(C(C1)C2=CN(N=C2)C)C(=O)O
InChI
InChI=1S/C11H17N3O2/c1-13-4-3-9(11(15)16)10(7-13)8-5-12-14(2)6-8/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,16)
InChIKey
REXUVKRVCRQVRG-UHFFFAOYSA-N
Compound name
1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 151.9
[M+Na]+ 246.121298 158.9
[M-H]- 222.124804 153.2
[M+NH4]+ 241.165903 167.3
[M+K]+ 262.095238 156.2
[M+H-H2O]+ 206.129340 143.6
[M+HCOO]- 268.130281 167.8
[M+CH3COO]- 282.145931 187.2
[M+Na-2H]- 244.106746 152.0
[M]+ 223.13153142 148.8
[M]- 223.13262858 148.8
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.