CID 65556205

1-tert-butyl-3,5-dimethyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC1=C(C(=NN1C(C)(C)C)C)O
InChI
InChI=1S/C9H16N2O/c1-6-8(12)7(2)11(10-6)9(3,4)5/h12H,1-5H3
InChIKey
SOMLVRCMUNDKMD-UHFFFAOYSA-N
Compound name
1-tert-butyl-3,5-dimethylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 138.1
[M+Na]+ 191.11549 148.4
[M-H]- 167.11899 138.9
[M+NH4]+ 186.16009 158.3
[M+K]+ 207.08943 146.6
[M+H-H2O]+ 151.12353 132.8
[M+HCOO]- 213.12447 158.0
[M+CH3COO]- 227.14012 179.3
[M+Na-2H]- 189.10094 142.1
[M]+ 168.12572 139.9
[M]- 168.12682 139.9
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