CID 56773890

4-{[(3,4-dimethylphenyl)amino]methyl}piperidin-4-ol

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC1=C(C=C(C=C1)NCC2(CCNCC2)O)C
InChI
InChI=1S/C14H22N2O/c1-11-3-4-13(9-12(11)2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3
InChIKey
MGJBGAZULFDMKO-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethylanilino)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.180496 156.3
[M+Na]+ 257.162438 161.0
[M-H]- 233.165944 158.3
[M+NH4]+ 252.207043 173.1
[M+K]+ 273.136378 156.6
[M+H-H2O]+ 217.170480 149.2
[M+HCOO]- 279.171421 173.4
[M+CH3COO]- 293.187071 189.4
[M+Na-2H]- 255.147886 160.6
[M]+ 234.17267142 149.8
[M]- 234.17376858 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.