CID 13018409

1-methyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C4H6N2O
SMILES
CN1C=C(C=N1)O
InChI
InChI=1S/C4H6N2O/c1-6-3-4(7)2-5-6/h2-3,7H,1H3
InChIKey
FQASUNMXKLPOOF-UHFFFAOYSA-N
Compound name
1-methylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

98.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 115.2
[M+Na]+ 121.037228 125.2
[M-H]- 97.040734 115.5
[M+NH4]+ 116.081833 137.3
[M+K]+ 137.011168 124.4
[M+H-H2O]+ 81.045270 109.3
[M+HCOO]- 143.046211 138.3
[M+CH3COO]- 157.061861 162.2
[M+Na-2H]- 119.022676 122.5
[M]+ 98.04746142 115.0
[M]- 98.04855858 115.0
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