CID 105430059

2-methyl-2-(1h-pyrazol-4-yl)propanoic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC(C)(C1=CNN=C1)C(=O)O
InChI
InChI=1S/C7H10N2O2/c1-7(2,6(10)11)5-3-8-9-4-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKey
OBHNSVULCNGRFF-UHFFFAOYSA-N
Compound name
2-methyl-2-(1H-pyrazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 132.4
[M+Na]+ 177.06345 141.5
[M+NH4]+ 172.10805 138.4
[M+K]+ 193.03739 140.4
[M-H]- 153.06695 130.0
[M+Na-2H]- 175.04890 136.1
[M]+ 154.07368 132.6
[M]- 154.07478 132.6
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.