CID 56773889

4-{[(2,4-dichlorophenyl)amino]methyl}piperidin-4-ol

Structural Information

Molecular Formula
C12H16Cl2N2O
SMILES
C1CNCCC1(CNC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C12H16Cl2N2O/c13-9-1-2-11(10(14)7-9)16-8-12(17)3-5-15-6-4-12/h1-2,7,15-17H,3-6,8H2
InChIKey
BQHORDCKIUYVIO-UHFFFAOYSA-N
Compound name
4-[(2,4-dichloroanilino)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.06396 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07124 158.2
[M+Na]+ 297.05318 164.8
[M-H]- 273.05668 159.5
[M+NH4]+ 292.09778 174.5
[M+K]+ 313.02712 157.8
[M+H-H2O]+ 257.06122 152.7
[M+HCOO]- 319.06216 166.3
[M+CH3COO]- 333.07781 167.8
[M+Na-2H]- 295.03863 162.3
[M]+ 274.06341 154.2
[M]- 274.06451 154.2
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.