CID 132353694

2138085-66-0

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CCOC(=O)C1=NN(C=C1C=O)C2CCOCC2
InChI
InChI=1S/C12H16N2O4/c1-2-18-12(16)11-9(8-15)7-14(13-11)10-3-5-17-6-4-10/h7-8,10H,2-6H2,1H3
InChIKey
GNKZODNOKNXKSA-UHFFFAOYSA-N
Compound name
ethyl 4-formyl-1-(oxan-4-yl)pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 155.8
[M+Na]+ 275.10023 162.1
[M-H]- 251.10373 160.0
[M+NH4]+ 270.14483 170.3
[M+K]+ 291.07417 161.6
[M+H-H2O]+ 235.10827 147.6
[M+HCOO]- 297.10921 173.9
[M+CH3COO]- 311.12486 191.5
[M+Na-2H]- 273.08568 157.6
[M]+ 252.11046 156.7
[M]- 252.11156 156.7
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

No patent data available for this compound.