CID 102547977

2825008-03-3

Structural Information

Molecular Formula
C9H9F3N2O2
SMILES
C1CC2=NC(=CN2CC1C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-2-7-13-6(8(15)16)4-14(7)3-5/h4-5H,1-3H2,(H,15,16)
InChIKey
NPENBVWMGGBQFW-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

234.06161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06889 151.1
[M+Na]+ 257.05083 157.7
[M+NH4]+ 252.09543 155.4
[M+K]+ 273.02477 156.1
[M-H]- 233.05433 145.5
[M+Na-2H]- 255.03628 151.6
[M]+ 234.06106 149.9
[M]- 234.06216 149.9
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