CID 117232826

1890923-07-5

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
CN1C(=C(C=N1)O)Cl
InChI
InChI=1S/C4H5ClN2O/c1-7-4(5)3(8)2-6-7/h2,8H,1H3
InChIKey
HGCHMNBAHKJTGT-UHFFFAOYSA-N
Compound name
5-chloro-1-methylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.00903 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.01631 121.0
[M+Na]+ 154.99825 132.5
[M-H]- 131.00175 121.3
[M+NH4]+ 150.04285 142.7
[M+K]+ 170.97219 129.6
[M+H-H2O]+ 115.00629 115.7
[M+HCOO]- 177.00723 139.2
[M+CH3COO]- 191.02288 167.3
[M+Na-2H]- 152.98370 126.9
[M]+ 132.00848 122.6
[M]- 132.00958 122.6
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.