CID 125454598

2060043-79-8

Structural Information

Molecular Formula
C9H10F2N2O2
SMILES
C1CCN2C(=NC(=C2C(=O)O)C(F)F)C1
InChI
InChI=1S/C9H10F2N2O2/c10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6/h8H,1-4H2,(H,14,15)
InChIKey
VUZWQGLSALVGPX-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

216.07103 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.078306 143.4
[M+Na]+ 239.060248 151.2
[M-H]- 215.063754 141.1
[M+NH4]+ 234.104853 161.2
[M+K]+ 255.034188 148.5
[M+H-H2O]+ 199.068290 135.0
[M+HCOO]- 261.069231 158.0
[M+CH3COO]- 275.084881 184.9
[M+Na-2H]- 237.045696 144.7
[M]+ 216.07048142 138.6
[M]- 216.07157858 138.6
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