CID 83816565

1554585-56-6

Structural Information

Molecular Formula
C6H7ClN2O2
SMILES
CN1C(=CC(=N1)CC(=O)O)Cl
InChI
InChI=1S/C6H7ClN2O2/c1-9-5(7)2-4(8-9)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChIKey
JWUKFQIMEZBXBX-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-methylpyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0196 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02688 132.4
[M+Na]+ 197.00882 144.1
[M+NH4]+ 192.05342 139.4
[M+K]+ 212.98276 141.2
[M-H]- 173.01232 131.3
[M+Na-2H]- 194.99427 136.7
[M]+ 174.01905 133.7
[M]- 174.02015 133.7
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

No patent data available for this compound.