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]+ 235.18050 156.3
[M+Na]+ 257.16244 161.0
[M-H]- 233.16594 158.3
[M+NH4]+ 252.20704 173.1
[M+K]+ 273.13638 156.6
[M+H-H2O]+ 217.17048 149.2
[M+HCOO]- 279.17142 173.4
[M+CH3COO]- 293.18707 189.4
[M+Na-2H]- 255.14789 160.6
[M]+ 234.17267 149.8
[M]- 234.17377 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.