CID 156845906

1-(4-aminophenyl)-4-(trifluoromethyl)piperidin-4-ol

Structural Information

Molecular Formula
C12H15F3N2O
SMILES
C1CN(CCC1(C(F)(F)F)O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H15F3N2O/c13-12(14,15)11(18)5-7-17(8-6-11)10-3-1-9(16)2-4-10/h1-4,18H,5-8,16H2
InChIKey
HJXAVCXNNOPRNX-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-4-(trifluoromethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

260.11365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12093 156.9
[M+Na]+ 283.10287 163.6
[M-H]- 259.10637 156.2
[M+NH4]+ 278.14747 172.9
[M+K]+ 299.07681 159.3
[M+H-H2O]+ 243.11091 147.6
[M+HCOO]- 305.11185 170.6
[M+CH3COO]- 319.12750 193.2
[M+Na-2H]- 281.08832 160.5
[M]+ 260.11310 146.5
[M]- 260.11420 146.5
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

patents stripe