CID 19621365

2-(3-cyclopropyl-1h-pyrazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(C(=O)O)N1C=CC(=N1)C2CC2
InChI
InChI=1S/C9H12N2O2/c1-6(9(12)13)11-5-4-8(10-11)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13)
InChIKey
SGKQDTRMEGROBF-UHFFFAOYSA-N
Compound name
2-(3-cyclopropylpyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

180.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 141.6
[M+Na]+ 203.07909 151.0
[M-H]- 179.08259 145.4
[M+NH4]+ 198.12369 155.1
[M+K]+ 219.05303 147.6
[M+H-H2O]+ 163.08713 134.3
[M+HCOO]- 225.08807 161.9
[M+CH3COO]- 239.10372 182.1
[M+Na-2H]- 201.06454 144.0
[M]+ 180.08932 143.7
[M]- 180.09042 143.7
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