CID 58926

101831-71-4

Structural Information

Molecular Formula
C11H11N3
SMILES
C1=CC2=C(C=C1C#N)C(=CN2)CCN
InChI
InChI=1S/C11H11N3/c12-4-3-9-7-14-11-2-1-8(6-13)5-10(9)11/h1-2,5,7,14H,3-4,12H2
InChIKey
NYEZIGVQPDFDQF-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

185.09529 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe