CID 78128

1h-indole-3-propiononitrile

Structural Information

Molecular Formula
C11H10N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCC#N
InChI
InChI=1S/C11H10N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4H2
InChIKey
QZBSQJAILQLCJF-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

170.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.091676 138.7
[M+Na]+ 193.073618 150.4
[M-H]- 169.077124 140.1
[M+NH4]+ 188.118223 157.9
[M+K]+ 209.047558 144.0
[M+H-H2O]+ 153.081660 125.7
[M+HCOO]- 215.082601 158.2
[M+CH3COO]- 229.098251 150.7
[M+Na-2H]- 191.059066 145.4
[M]+ 170.08385142 134.0
[M]- 170.08494858 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