CID 175669386

Methyl 2-fluoro-3-(1h-pyrazol-1-yl)propanoate

Structural Information

Molecular Formula
C7H9FN2O2
SMILES
COC(=O)C(CN1C=CC=N1)F
InChI
InChI=1S/C7H9FN2O2/c1-12-7(11)6(8)5-10-4-2-3-9-10/h2-4,6H,5H2,1H3
InChIKey
FOJZYSYEMJGGSH-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-3-pyrazol-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0648 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07208 133.5
[M+Na]+ 195.05402 141.5
[M-H]- 171.05752 133.2
[M+NH4]+ 190.09862 152.7
[M+K]+ 211.02796 141.2
[M+H-H2O]+ 155.06206 125.5
[M+HCOO]- 217.06300 154.5
[M+CH3COO]- 231.07865 177.6
[M+Na-2H]- 193.03947 137.4
[M]+ 172.06425 134.1
[M]- 172.06535 134.1
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.