CID 45590

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

Structural Information

Molecular Formula
C13H18N2
SMILES
CC(C)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H18N2/c1-10(2)14-8-7-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKey
QOCRVKNKLPEDCZ-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

69
Patents

202.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 146.3
[M+Na]+ 225.13622 153.8
[M-H]- 201.13972 148.3
[M+NH4]+ 220.18082 166.3
[M+K]+ 241.11016 149.5
[M+H-H2O]+ 185.14426 139.6
[M+HCOO]- 247.14520 168.9
[M+CH3COO]- 261.16085 187.3
[M+Na-2H]- 223.12167 152.1
[M]+ 202.14645 146.4
[M]- 202.14755 146.4
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