CID 19616916

938006-79-2

Structural Information

Molecular Formula
C10H11F3N2O2
SMILES
CC(C(=O)O)N1C2=C(CCC2)C(=N1)C(F)(F)F
InChI
InChI=1S/C10H11F3N2O2/c1-5(9(16)17)15-7-4-2-3-6(7)8(14-15)10(11,12)13/h5H,2-4H2,1H3,(H,16,17)
InChIKey
WMFULLMJQHHBFB-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07726 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08454 151.4
[M+Na]+ 271.06648 160.0
[M-H]- 247.06998 148.7
[M+NH4]+ 266.11108 170.0
[M+K]+ 287.04042 157.5
[M+H-H2O]+ 231.07452 143.4
[M+HCOO]- 293.07546 165.3
[M+CH3COO]- 307.09111 190.3
[M+Na-2H]- 269.05193 151.2
[M]+ 248.07671 147.5
[M]- 248.07781 147.5
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.