CID 16770209

N-{[2-(aminomethyl)phenyl]methyl}-n-methylcyclohexanamine

Structural Information

Molecular Formula
C15H24N2
SMILES
CN(CC1=CC=CC=C1CN)C2CCCCC2
InChI
InChI=1S/C15H24N2/c1-17(15-9-3-2-4-10-15)12-14-8-6-5-7-13(14)11-16/h5-8,15H,2-4,9-12,16H2,1H3
InChIKey
PJOSCUUJKFLQBZ-UHFFFAOYSA-N
Compound name
N-[[2-(aminomethyl)phenyl]methyl]-N-methylcyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.19395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.201226 156.5
[M+Na]+ 255.183168 158.9
[M-H]- 231.186674 162.6
[M+NH4]+ 250.227773 173.7
[M+K]+ 271.157108 156.3
[M+H-H2O]+ 215.191210 148.3
[M+HCOO]- 277.192151 178.1
[M+CH3COO]- 291.207801 199.7
[M+Na-2H]- 253.168616 159.2
[M]+ 232.19340142 150.8
[M]- 232.19449858 150.8
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

No patent data available for this compound.