CID 7060582

Methyl({[4-(piperidin-1-yl)phenyl]methyl})amine

Structural Information

Molecular Formula
C13H20N2
SMILES
CNCC1=CC=C(C=C1)N2CCCCC2
InChI
InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKey
ABHBNGLDUNAXSR-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-piperidin-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

204.16264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 147.8
[M+Na]+ 227.15186 151.8
[M-H]- 203.15536 151.9
[M+NH4]+ 222.19646 164.8
[M+K]+ 243.12580 148.5
[M+H-H2O]+ 187.15990 139.5
[M+HCOO]- 249.16084 167.9
[M+CH3COO]- 263.17649 188.6
[M+Na-2H]- 225.13731 153.1
[M]+ 204.16209 142.4
[M]- 204.16319 142.4
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

patents stripe