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

108
Patents

143.0735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.080776 131.8
[M+Na]+ 166.062718 143.0
[M-H]- 142.066224 135.8
[M+NH4]+ 161.107323 153.9
[M+K]+ 182.036658 137.4
[M+H-H2O]+ 126.070760 120.1
[M+HCOO]- 188.071701 151.8
[M+CH3COO]- 202.087351 144.8
[M+Na-2H]- 164.048166 138.0
[M]+ 143.07295142 125.7
[M]- 143.07404858 125.7
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