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]+ 181.097146 141.6
[M+Na]+ 203.079088 151.0
[M-H]- 179.082594 145.4
[M+NH4]+ 198.123693 155.1
[M+K]+ 219.053028 147.6
[M+H-H2O]+ 163.087130 134.3
[M+HCOO]- 225.088071 161.9
[M+CH3COO]- 239.103721 182.1
[M+Na-2H]- 201.064536 144.0
[M]+ 180.08932142 143.7
[M]- 180.09041858 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