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]+ 233.20123 156.5
[M+Na]+ 255.18317 158.9
[M-H]- 231.18667 162.6
[M+NH4]+ 250.22777 173.7
[M+K]+ 271.15711 156.3
[M+H-H2O]+ 215.19121 148.3
[M+HCOO]- 277.19215 178.1
[M+CH3COO]- 291.20780 199.7
[M+Na-2H]- 253.16862 159.2
[M]+ 232.19340 150.8
[M]- 232.19450 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.