CID 137480156

2278285-76-8

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

15
Patents

208.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 141.1
[M+Na]+ 231.074018 147.8
[M-H]- 207.077524 145.2
[M+NH4]+ 226.118623 152.5
[M+K]+ 247.047958 149.6
[M+H-H2O]+ 191.082060 128.7
[M+HCOO]- 253.083001 161.6
[M+CH3COO]- 267.098651 188.0
[M+Na-2H]- 229.059466 143.4
[M]+ 208.08425142 151.6
[M]- 208.08534858 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