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]+ 186.10257 143.6
[M+Na]+ 208.08451 155.1
[M-H]- 184.08801 144.7
[M+NH4]+ 203.12911 161.9
[M+K]+ 224.05845 148.8
[M+H-H2O]+ 168.09255 130.5
[M+HCOO]- 230.09349 163.3
[M+CH3COO]- 244.10914 155.1
[M+Na-2H]- 206.06996 149.0
[M]+ 185.09474 137.7
[M]- 185.09584 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