CID 65556622

1-ethyl-3,5-dimethyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C7H12N2O
SMILES
CCN1C(=C(C(=N1)C)O)C
InChI
InChI=1S/C7H12N2O/c1-4-9-6(3)7(10)5(2)8-9/h10H,4H2,1-3H3
InChIKey
SRCOMEHNHCWSEN-UHFFFAOYSA-N
Compound name
1-ethyl-3,5-dimethylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

140.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 128.3
[M+Na]+ 163.08418 138.9
[M-H]- 139.08768 128.8
[M+NH4]+ 158.12878 149.3
[M+K]+ 179.05812 137.2
[M+H-H2O]+ 123.09222 122.4
[M+HCOO]- 185.09316 150.3
[M+CH3COO]- 199.10881 173.6
[M+Na-2H]- 161.06963 132.5
[M]+ 140.09441 129.9
[M]- 140.09551 129.9
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