CID 14041713

3-(2-aminoethyl)-1h-indole-4-carbonitrile

Structural Information

Molecular Formula
C11H11N3
SMILES
C1=CC(=C2C(=C1)NC=C2CCN)C#N
InChI
InChI=1S/C11H11N3/c12-5-4-9-7-14-10-3-1-2-8(6-13)11(9)10/h1-3,7,14H,4-5,12H2
InChIKey
BXTHCYQBVALJSA-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1H-indole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.09529 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.102566 143.6
[M+Na]+ 208.084508 155.1
[M-H]- 184.088014 144.7
[M+NH4]+ 203.129113 161.9
[M+K]+ 224.058448 148.8
[M+H-H2O]+ 168.092550 130.5
[M+HCOO]- 230.093491 163.3
[M+CH3COO]- 244.109141 155.1
[M+Na-2H]- 206.069956 149.0
[M]+ 185.09474142 137.7
[M]- 185.09583858 137.7
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