CID 2763345

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

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC(C)(C(=O)O)N1C=CC=N1
InChI
InChI=1S/C7H10N2O2/c1-7(2,6(10)11)9-5-3-4-8-9/h3-5H,1-2H3,(H,10,11)
InChIKey
SZGVDJHDIPSUSA-UHFFFAOYSA-N
Compound name
2-methyl-2-pyrazol-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

154.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 132.0
[M+Na]+ 177.063448 140.2
[M-H]- 153.066954 132.0
[M+NH4]+ 172.108053 151.4
[M+K]+ 193.037388 139.3
[M+H-H2O]+ 137.071490 125.9
[M+HCOO]- 199.072431 151.9
[M+CH3COO]- 213.088081 172.4
[M+Na-2H]- 175.048896 137.9
[M]+ 154.07368142 132.1
[M]- 154.07477858 132.1
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

patents stripe