CID 15565768

(e)-3-(1h-indol-3-yl)acrylonitrile

Structural Information

Molecular Formula
C11H8N2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C/C#N
InChI
InChI=1S/C11H8N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,13H/b4-3+
InChIKey
GQCABHQDRZQIOP-ONEGZZNKSA-N
Compound name
(E)-3-(1H-indol-3-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

168.06874 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 139.4
[M+Na]+ 191.05796 151.4
[M-H]- 167.06146 140.8
[M+NH4]+ 186.10256 158.6
[M+K]+ 207.03190 144.4
[M+H-H2O]+ 151.06600 126.4
[M+HCOO]- 213.06694 159.0
[M+CH3COO]- 227.08259 151.4
[M+Na-2H]- 189.04341 145.9
[M]+ 168.06819 134.0
[M]- 168.06929 134.0
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