CID 50987849

2-(3,5-diethyl-1-methyl-1h-pyrazol-4-yl)acetic acid

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCC1=C(C(=NN1C)CC)CC(=O)O
InChI
InChI=1S/C10H16N2O2/c1-4-8-7(6-10(13)14)9(5-2)12(3)11-8/h4-6H2,1-3H3,(H,13,14)
InChIKey
DPSWMHYHINOADQ-UHFFFAOYSA-N
Compound name
2-(3,5-diethyl-1-methylpyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 145.3
[M+Na]+ 219.11041 155.8
[M+NH4]+ 214.15501 151.4
[M+K]+ 235.08435 153.0
[M-H]- 195.11391 144.1
[M+Na-2H]- 217.09586 148.2
[M]+ 196.12064 146.1
[M]- 196.12174 146.1
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

No patent data available for this compound.