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

334
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]+ 121.03723 125.2
[M-H]- 97.040734 115.5
[M+NH4]+ 116.08183 137.3
[M+K]+ 137.01117 124.4
[M+H-H2O]+ 81.045270 109.3
[M+HCOO]- 143.04621 138.3
[M+CH3COO]- 157.06186 162.2
[M+Na-2H]- 119.02268 122.5
[M]+ 98.047461 115.0
[M]- 98.048559 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