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]+ 219.18558 152.8
[M+Na]+ 241.16752 156.3
[M-H]- 217.17102 157.7
[M+NH4]+ 236.21212 170.0
[M+K]+ 257.14146 152.8
[M+H-H2O]+ 201.17556 145.5
[M+HCOO]- 263.17650 172.7
[M+CH3COO]- 277.19215 194.8
[M+Na-2H]- 239.15297 153.9
[M]+ 218.17775 144.4
[M]- 218.17885 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.