CID 45586

3-(2-(2-isobutylamino)ethyl)indole monohydrochloride

Structural Information

Molecular Formula
C14H20N2
SMILES
CC(C)CNCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H20N2/c1-11(2)9-15-8-7-12-10-16-14-6-4-3-5-13(12)14/h3-6,10-11,15-16H,7-9H2,1-2H3
InChIKey
HUZOBAFMOMZMBQ-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 150.9
[M+Na]+ 239.15186 162.7
[M+NH4]+ 234.19646 159.6
[M+K]+ 255.12580 156.9
[M-H]- 215.15536 153.3
[M+Na-2H]- 237.13731 156.9
[M]+ 216.16209 153.1
[M]- 216.16319 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

No literature data available for this compound.

Patent stripe

patents stripe