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

62
Patents

154.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 132.0
[M+Na]+ 177.06345 140.2
[M-H]- 153.06695 132.0
[M+NH4]+ 172.10805 151.4
[M+K]+ 193.03739 139.3
[M+H-H2O]+ 137.07149 125.9
[M+HCOO]- 199.07243 151.9
[M+CH3COO]- 213.08808 172.4
[M+Na-2H]- 175.04890 137.9
[M]+ 154.07368 132.1
[M]- 154.07478 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