CID 3015277

2,3-dihydro-1h-indene-1-carbonitrile

Structural Information

Molecular Formula
C10H9N
SMILES
C1CC2=CC=CC=C2C1C#N
InChI
InChI=1S/C10H9N/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-6H2
InChIKey
CAFXXESJSIBJBZ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

143.0735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 132.7
[M+Na]+ 166.06272 145.0
[M+NH4]+ 161.10732 139.5
[M+K]+ 182.03666 135.9
[M-H]- 142.06622 128.4
[M+Na-2H]- 164.04817 136.7
[M]+ 143.07295 132.4
[M]- 143.07405 132.4
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

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