CID 3087173

Dtxsid70921091

Structural Information

Molecular Formula
C14H22N2
SMILES
CC(C1CCC(CC1)C2=CC=C(C=C2)N)N
InChI
InChI=1S/C14H22N2/c1-10(15)11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h6-12H,2-5,15-16H2,1H3
InChIKey
AAMSZTFFCNZGTF-UHFFFAOYSA-N
Compound name
4-[4-(1-aminoethyl)cyclohexyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 152.8
[M+Na]+ 241.167518 156.3
[M-H]- 217.171024 157.7
[M+NH4]+ 236.212123 170.0
[M+K]+ 257.141458 152.8
[M+H-H2O]+ 201.175560 145.5
[M+HCOO]- 263.176501 172.7
[M+CH3COO]- 277.192151 194.8
[M+Na-2H]- 239.152966 153.9
[M]+ 218.17775142 144.4
[M]- 218.17884858 144.4
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.