CID 73012436

1264100-89-1

Structural Information

Molecular Formula
C11H17N3O2
SMILES
C1CCN(CC1)CC2=CN(N=C2)CC(=O)O
InChI
InChI=1S/C11H17N3O2/c15-11(16)9-14-8-10(6-12-14)7-13-4-2-1-3-5-13/h6,8H,1-5,7,9H2,(H,15,16)
InChIKey
JLIYQKVRYGFOKY-UHFFFAOYSA-N
Compound name
2-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 152.3
[M+Na]+ 246.12130 161.9
[M+NH4]+ 241.16590 158.5
[M+K]+ 262.09524 158.9
[M-H]- 222.12480 152.5
[M+Na-2H]- 244.10675 156.6
[M]+ 223.13153 153.3
[M]- 223.13263 153.3
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.