CID 45605

3-(2-(n-propylamino)ethyl)indole monohydrochloride

Structural Information

Molecular Formula
C13H18N2
SMILES
CCCNCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H18N2/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13/h3-6,10,14-15H,2,7-9H2,1H3
InChIKey
KBFBIAGUZWNRFI-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

202.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 145.3
[M+Na]+ 225.13622 153.1
[M-H]- 201.13972 147.1
[M+NH4]+ 220.18082 165.3
[M+K]+ 241.11016 148.3
[M+H-H2O]+ 185.14426 138.5
[M+HCOO]- 247.14520 168.9
[M+CH3COO]- 261.16085 186.5
[M+Na-2H]- 223.12167 152.3
[M]+ 202.14645 146.0
[M]- 202.14755 146.0
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