CID 10176532

133261-07-1

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCCC1=NN(C(=C1)C(=O)OCC)C
InChI
InChI=1S/C10H16N2O2/c1-4-6-8-7-9(12(3)11-8)10(13)14-5-2/h7H,4-6H2,1-3H3
InChIKey
ZPSRHLWRTVNGSM-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3-propylpyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

196.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 143.9
[M+Na]+ 219.110408 152.7
[M-H]- 195.113914 145.1
[M+NH4]+ 214.155013 162.9
[M+K]+ 235.084348 151.5
[M+H-H2O]+ 179.118450 136.9
[M+HCOO]- 241.119391 165.9
[M+CH3COO]- 255.135041 185.4
[M+Na-2H]- 217.095856 146.6
[M]+ 196.12064142 148.1
[M]- 196.12173858 148.1
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