CID 96438

N-(1h-indol-3-ylmethyl)cyclohexanamine

Structural Information

Molecular Formula
C15H20N2
SMILES
C1CCC(CC1)NCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H20N2/c1-2-6-13(7-3-1)16-10-12-11-17-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16-17H,1-3,6-7,10H2
InChIKey
MAMUGDCJLAKCPT-UHFFFAOYSA-N
Compound name
N-(1H-indol-3-ylmethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

228.16264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 150.8
[M+Na]+ 251.15186 156.0
[M-H]- 227.15536 154.9
[M+NH4]+ 246.19646 169.0
[M+K]+ 267.12580 150.5
[M+H-H2O]+ 211.15990 142.9
[M+HCOO]- 273.16084 170.9
[M+CH3COO]- 287.17649 161.9
[M+Na-2H]- 249.13731 156.2
[M]+ 228.16209 145.3
[M]- 228.16319 145.3
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