CID 28409689

4-(aminomethyl)-n-cyclohexyl-n-methylaniline

Structural Information

Molecular Formula
C14H22N2
SMILES
CN(C1CCCCC1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C14H22N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h7-10,13H,2-6,11,15H2,1H3
InChIKey
AYVQVJAAHBBROI-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-cyclohexyl-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 151.9
[M+Na]+ 241.167518 154.8
[M-H]- 217.171024 158.3
[M+NH4]+ 236.212123 169.7
[M+K]+ 257.141458 152.5
[M+H-H2O]+ 201.175560 144.0
[M+HCOO]- 263.176501 173.9
[M+CH3COO]- 277.192151 196.7
[M+Na-2H]- 239.152966 155.2
[M]+ 218.17775142 145.9
[M]- 218.17884858 145.9
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.