CID 61245221

{4-[(2,2,2-trifluoroethyl)amino]piperidin-4-yl}methanol dihydrochloride

Structural Information

Molecular Formula
C8H15F3N2O
SMILES
C1CNCCC1(CO)NCC(F)(F)F
InChI
InChI=1S/C8H15F3N2O/c9-8(10,11)5-13-7(6-14)1-3-12-4-2-7/h12-14H,1-6H2
InChIKey
QWUVTCAQGRBOIM-UHFFFAOYSA-N
Compound name
[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11365 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12093 145.0
[M+Na]+ 235.10287 149.6
[M-H]- 211.10637 139.6
[M+NH4]+ 230.14747 162.3
[M+K]+ 251.07681 146.5
[M+H-H2O]+ 195.11091 137.2
[M+HCOO]- 257.11185 157.7
[M+CH3COO]- 271.12750 181.3
[M+Na-2H]- 233.08832 150.2
[M]+ 212.11310 133.8
[M]- 212.11420 133.8
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.