CID 21907639

15861-23-1

Structural Information

Molecular Formula
C9H8N2
SMILES
C1CNC2=C1C=C(C=C2)C#N
InChI
InChI=1S/C9H8N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,11H,3-4H2
InChIKey
KBNWGVBBEPQFIZ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

144.06874 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07602 133.3
[M+Na]+ 167.05796 145.1
[M+NH4]+ 162.10256 139.2
[M+K]+ 183.03190 136.7
[M-H]- 143.06146 127.7
[M+Na-2H]- 165.04341 136.5
[M]+ 144.06819 132.5
[M]- 144.06929 132.5
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