CID 115022751

2-(5-chloro-1-propyl-1h-pyrazol-4-yl)acetic acid

Structural Information

Molecular Formula
C8H11ClN2O2
SMILES
CCCN1C(=C(C=N1)CC(=O)O)Cl
InChI
InChI=1S/C8H11ClN2O2/c1-2-3-11-8(9)6(5-10-11)4-7(12)13/h5H,2-4H2,1H3,(H,12,13)
InChIKey
XTZBVBQOMFNMPY-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-propylpyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0509 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05818 141.3
[M+Na]+ 225.04012 152.7
[M+NH4]+ 220.08472 148.0
[M+K]+ 241.01406 149.3
[M-H]- 201.04362 140.2
[M+Na-2H]- 223.02557 145.1
[M]+ 202.05035 142.6
[M]- 202.05145 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.