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]+ 169.133546 138.1
[M+Na]+ 191.115488 148.4
[M-H]- 167.118994 138.9
[M+NH4]+ 186.160093 158.3
[M+K]+ 207.089428 146.6
[M+H-H2O]+ 151.123530 132.8
[M+HCOO]- 213.124471 158.0
[M+CH3COO]- 227.140121 179.3
[M+Na-2H]- 189.100936 142.1
[M]+ 168.12572142 139.9
[M]- 168.12681858 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