CID 4188047

Indoline-7-carbonitrile

Structural Information

Molecular Formula
C9H8N2
SMILES
C1CNC2=C1C=CC=C2C#N
InChI
InChI=1S/C9H8N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,11H,4-5H2
InChIKey
YABRSQUYXZGQBW-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

144.06874 Da
Monoisotopic Mass

1.7
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