CID 137480156

Ethyl1-(3-oxocyclobutyl)-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CCOC(=O)C1=NN(C=C1)C2CC(=O)C2
InChI
InChI=1S/C10H12N2O3/c1-2-15-10(14)9-3-4-12(11-9)7-5-8(13)6-7/h3-4,7H,2,5-6H2,1H3
InChIKey
VEANQWZVRCEGAC-UHFFFAOYSA-N
Compound name
ethyl 1-(3-oxocyclobutyl)pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

208.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 141.1
[M+Na]+ 231.07402 147.8
[M-H]- 207.07752 145.2
[M+NH4]+ 226.11862 152.5
[M+K]+ 247.04796 149.6
[M+H-H2O]+ 191.08206 128.7
[M+HCOO]- 253.08300 161.6
[M+CH3COO]- 267.09865 188.0
[M+Na-2H]- 229.05947 143.4
[M]+ 208.08425 151.6
[M]- 208.08535 151.6
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