CID 44720788

Refchem:420068

Structural Information

Molecular Formula
C14H20N2
SMILES
CCCCC(CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C14H20N2/c1-2-3-6-12(15)9-11-10-16-14-8-5-4-7-13(11)14/h4-5,7-8,10,12,16H,2-3,6,9,15H2,1H3
InChIKey
LVDFMEDWJMVBPG-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)hexan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

216.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 151.4
[M+Na]+ 239.151858 158.4
[M-H]- 215.155364 152.6
[M+NH4]+ 234.196463 170.5
[M+K]+ 255.125798 153.5
[M+H-H2O]+ 199.159900 144.5
[M+HCOO]- 261.160841 173.0
[M+CH3COO]- 275.176491 189.7
[M+Na-2H]- 237.137306 155.6
[M]+ 216.16209142 150.8
[M]- 216.16318858 150.8
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