CID 7365260

Ethyl 3-propyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CCCC1=CC(=NN1)C(=O)OCC
InChI
InChI=1S/C9H14N2O2/c1-3-5-7-6-8(11-10-7)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
SUALHSUMUQQLJP-UHFFFAOYSA-N
Compound name
ethyl 5-propyl-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

182.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 140.7
[M+Na]+ 205.09475 148.6
[M-H]- 181.09825 140.3
[M+NH4]+ 200.13935 159.3
[M+K]+ 221.06869 146.7
[M+H-H2O]+ 165.10279 133.7
[M+HCOO]- 227.10373 161.5
[M+CH3COO]- 241.11938 178.6
[M+Na-2H]- 203.08020 144.0
[M]+ 182.10498 142.3
[M]- 182.10608 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe