CID 52906

Indole, 3-(4-(dimethylamino)butyl)-, hydrochloride

Structural Information

Molecular Formula
C14H20N2
SMILES
CN(C)CCCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H20N2/c1-16(2)10-6-5-7-12-11-15-14-9-4-3-8-13(12)14/h3-4,8-9,11,15H,5-7,10H2,1-2H3
InChIKey
YPDXKHLNRKOHAC-UHFFFAOYSA-N
Compound name
4-(1H-indol-3-yl)-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 150.8
[M+Na]+ 239.151858 158.3
[M-H]- 215.155364 154.0
[M+NH4]+ 234.196463 170.9
[M+K]+ 255.125798 154.6
[M+H-H2O]+ 199.159900 143.6
[M+HCOO]- 261.160841 174.6
[M+CH3COO]- 275.176491 192.9
[M+Na-2H]- 237.137306 156.5
[M]+ 216.16209142 153.1
[M]- 216.16318858 153.1
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

No patent data available for this compound.