CID 57438570

888739-04-6

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CCOC(=O)C1=C(NN=C1)OC(C)C
InChI
InChI=1S/C9H14N2O3/c1-4-13-9(12)7-5-10-11-8(7)14-6(2)3/h5-6H,4H2,1-3H3,(H,10,11)
InChIKey
IMGDBIMVFOWKGU-UHFFFAOYSA-N
Compound name
ethyl 5-propan-2-yloxy-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 143.6
[M+Na]+ 221.08967 151.1
[M-H]- 197.09317 143.4
[M+NH4]+ 216.13427 161.4
[M+K]+ 237.06361 150.3
[M+H-H2O]+ 181.09771 136.6
[M+HCOO]- 243.09865 163.7
[M+CH3COO]- 257.11430 181.5
[M+Na-2H]- 219.07512 145.8
[M]+ 198.09990 146.0
[M]- 198.10100 146.0
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