CID 93648

57365-08-9

Structural Information

Molecular Formula
C14H22N2
SMILES
CN(CC1=CC=CC=C1N)C2CCCCC2
InChI
InChI=1S/C14H22N2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h5-7,10,13H,2-4,8-9,11,15H2,1H3
InChIKey
MTVBBLNLYSYKCQ-UHFFFAOYSA-N
Compound name
2-[[cyclohexyl(methyl)amino]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

190
Patents

218.1783 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe