CID 25252379

Methyl 1-propyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCCN1C(=CC=N1)C(=O)OC
InChI
InChI=1S/C8H12N2O2/c1-3-6-10-7(4-5-9-10)8(11)12-2/h4-5H,3,6H2,1-2H3
InChIKey
AYIMQUVIXIVDOQ-UHFFFAOYSA-N
Compound name
methyl 2-propylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.2
[M+Na]+ 191.07909 143.9
[M-H]- 167.08259 136.4
[M+NH4]+ 186.12369 155.0
[M+K]+ 207.05303 143.3
[M+H-H2O]+ 151.08713 128.2
[M+HCOO]- 213.08807 157.9
[M+CH3COO]- 227.10372 178.2
[M+Na-2H]- 189.06454 139.6
[M]+ 168.08932 138.3
[M]- 168.09042 138.3
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.