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

90
Patents

184.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 139.6
[M+Na]+ 207.07402 148.4
[M-H]- 183.07752 139.9
[M+NH4]+ 202.11862 158.4
[M+K]+ 223.04796 147.8
[M+H-H2O]+ 167.08206 133.7
[M+HCOO]- 229.08300 159.5
[M+CH3COO]- 243.09865 176.6
[M+Na-2H]- 205.05947 144.4
[M]+ 184.08425 141.7
[M]- 184.08535 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