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]+ 155.081506 132.9
[M+Na]+ 177.063448 140.6
[M-H]- 153.066954 131.4
[M+NH4]+ 172.108053 151.6
[M+K]+ 193.037388 138.8
[M+H-H2O]+ 137.071490 127.0
[M+HCOO]- 199.072431 151.3
[M+CH3COO]- 213.088081 169.8
[M+Na-2H]- 175.048896 138.3
[M]+ 154.07368142 131.0
[M]- 154.07477858 131.0
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.