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]+ 224.13936 151.9
[M+Na]+ 246.12130 158.9
[M-H]- 222.12480 153.2
[M+NH4]+ 241.16590 167.3
[M+K]+ 262.09524 156.2
[M+H-H2O]+ 206.12934 143.6
[M+HCOO]- 268.13028 167.8
[M+CH3COO]- 282.14593 187.2
[M+Na-2H]- 244.10675 152.0
[M]+ 223.13153 148.8
[M]- 223.13263 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.