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]+ 219.18558 151.9
[M+Na]+ 241.16752 154.8
[M-H]- 217.17102 158.3
[M+NH4]+ 236.21212 169.7
[M+K]+ 257.14146 152.5
[M+H-H2O]+ 201.17556 144.0
[M+HCOO]- 263.17650 173.9
[M+CH3COO]- 277.19215 196.7
[M+Na-2H]- 239.15297 155.2
[M]+ 218.17775 145.9
[M]- 218.17885 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.