CID 119969

4-(p-aminobenzyl)cyclohexylamine

Structural Information

Molecular Formula
C13H20N2
SMILES
C1CC(CCC1CC2=CC=C(C=C2)N)N
InChI
InChI=1S/C13H20N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-2,5-6,11,13H,3-4,7-9,14-15H2
InChIKey
NRVOGWCXEOJNFS-UHFFFAOYSA-N
Compound name
4-[(4-aminocyclohexyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

261
Patents

204.16264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 147.6
[M+Na]+ 227.15186 151.9
[M-H]- 203.15536 152.6
[M+NH4]+ 222.19646 165.4
[M+K]+ 243.12580 148.0
[M+H-H2O]+ 187.15990 140.4
[M+HCOO]- 249.16084 168.8
[M+CH3COO]- 263.17649 190.8
[M+Na-2H]- 225.13731 150.5
[M]+ 204.16209 139.5
[M]- 204.16319 139.5
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

patents stripe