CID 122151326

1955554-79-6

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CC(CNC1)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C9H13N3O2/c13-9(14)7-5-11-12-8(7)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H,11,12)(H,13,14)
InChIKey
ABEROPGYRSMYSF-UHFFFAOYSA-N
Compound name
5-piperidin-3-yl-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 144.2
[M+Na]+ 218.089988 149.3
[M-H]- 194.093494 142.3
[M+NH4]+ 213.134593 158.6
[M+K]+ 234.063928 145.4
[M+H-H2O]+ 178.098030 136.1
[M+HCOO]- 240.098971 157.8
[M+CH3COO]- 254.114621 174.0
[M+Na-2H]- 216.075436 145.8
[M]+ 195.10022142 135.9
[M]- 195.10131858 135.9
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.