CID 121252364

Tert-butyl 4-hydroxy-1h-pyrazole-1-carboxylate

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CC(C)(C)OC(=O)N1C=C(C=N1)O
InChI
InChI=1S/C8H12N2O3/c1-8(2,3)13-7(12)10-5-6(11)4-9-10/h4-5,11H,1-3H3
InChIKey
JONQFHXWXAHHHX-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxypyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

184.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 139.6
[M+Na]+ 207.074018 148.4
[M-H]- 183.077524 139.9
[M+NH4]+ 202.118623 158.4
[M+K]+ 223.047958 147.8
[M+H-H2O]+ 167.082060 133.7
[M+HCOO]- 229.083001 159.5
[M+CH3COO]- 243.098651 176.6
[M+Na-2H]- 205.059466 144.4
[M]+ 184.08425142 141.7
[M]- 184.08534858 141.7
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