CID 28663742

1-methyl-n-[(3-methylphenyl)methyl]piperidin-4-amine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC1=CC(=CC=C1)CNC2CCN(CC2)C
InChI
InChI=1S/C14H22N2/c1-12-4-3-5-13(10-12)11-15-14-6-8-16(2)9-7-14/h3-5,10,14-15H,6-9,11H2,1-2H3
InChIKey
FBLDNJMXNBXXPJ-UHFFFAOYSA-N
Compound name
1-methyl-N-[(3-methylphenyl)methyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.1783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 152.5
[M+Na]+ 241.167518 157.1
[M-H]- 217.171024 156.9
[M+NH4]+ 236.212123 169.3
[M+K]+ 257.141458 153.6
[M+H-H2O]+ 201.175560 144.2
[M+HCOO]- 263.176501 172.3
[M+CH3COO]- 277.192151 192.8
[M+Na-2H]- 239.152966 156.6
[M]+ 218.17775142 147.8
[M]- 218.17884858 147.8
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

patents stripe