CID 2777798

465514-39-0

Structural Information

Molecular Formula
C11H12F3N3O2
SMILES
C1CN(CCC1C(=O)O)C2=NC=CC(=N2)C(F)(F)F
InChI
InChI=1S/C11H12F3N3O2/c12-11(13,14)8-1-4-15-10(16-8)17-5-2-7(3-6-17)9(18)19/h1,4,7H,2-3,5-6H2,(H,18,19)
InChIKey
QYAIISDWPUEPHG-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

275.08817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09545 159.8
[M+Na]+ 298.07739 166.6
[M-H]- 274.08089 156.8
[M+NH4]+ 293.12199 170.7
[M+K]+ 314.05133 162.6
[M+H-H2O]+ 258.08543 148.4
[M+HCOO]- 320.08637 170.0
[M+CH3COO]- 334.10202 194.0
[M+Na-2H]- 296.06284 162.4
[M]+ 275.08762 151.6
[M]- 275.08872 151.6
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