CID 16771295

926271-74-1

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=C(C(=NN1C2=CC=CC=N2)C)CC(=O)O
InChI
InChI=1S/C12H13N3O2/c1-8-10(7-12(16)17)9(2)15(14-8)11-5-3-4-6-13-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKey
ATNQFACEBKQXSB-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 152.2
[M+Na]+ 254.08999 165.1
[M+NH4]+ 249.13459 158.4
[M+K]+ 270.06393 161.7
[M-H]- 230.09349 153.0
[M+Na-2H]- 252.07544 158.4
[M]+ 231.10022 154.1
[M]- 231.10132 154.1
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.