CID 39450

Indole, 3-((diethylamino)methyl)-

Structural Information

Molecular Formula
C13H18N2
SMILES
CCN(CC)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H18N2/c1-3-15(4-2)10-11-9-14-13-8-6-5-7-12(11)13/h5-9,14H,3-4,10H2,1-2H3
InChIKey
RCGABEQHDDFFRR-UHFFFAOYSA-N
Compound name
N-ethyl-N-(1H-indol-3-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

27
Patents

202.147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 146.1
[M+Na]+ 225.13622 154.0
[M-H]- 201.13972 149.5
[M+NH4]+ 220.18082 166.8
[M+K]+ 241.11016 150.6
[M+H-H2O]+ 185.14426 139.1
[M+HCOO]- 247.14520 170.3
[M+CH3COO]- 261.16085 189.9
[M+Na-2H]- 223.12167 152.3
[M]+ 202.14645 148.0
[M]- 202.14755 148.0
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