CID 3137773

2-methyl-3-(3-methyl-pyrazol-1-yl)-propionic acid

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC1=NN(C=C1)CC(C)C(=O)O
InChI
InChI=1S/C8H12N2O2/c1-6(8(11)12)5-10-4-3-7(2)9-10/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKey
ARJKQIWTIXNRAC-UHFFFAOYSA-N
Compound name
2-methyl-3-(3-methylpyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

168.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 136.7
[M+Na]+ 191.07909 146.5
[M+NH4]+ 186.12369 143.0
[M+K]+ 207.05303 144.6
[M-H]- 167.08259 135.2
[M+Na-2H]- 189.06454 140.2
[M]+ 168.08932 137.3
[M]- 168.09042 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe