CID 4188047

2,3-dihydro-1h-indole-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

86
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 130.9
[M+Na]+ 167.05796 141.7
[M-H]- 143.06146 132.2
[M+NH4]+ 162.10256 151.0
[M+K]+ 183.03190 136.0
[M+H-H2O]+ 127.06600 118.4
[M+HCOO]- 189.06694 148.5
[M+CH3COO]- 203.08259 142.9
[M+Na-2H]- 165.04341 137.1
[M]+ 144.06819 123.2
[M]- 144.06929 123.2
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