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

82
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 131.8
[M+Na]+ 166.06272 143.0
[M-H]- 142.06622 135.8
[M+NH4]+ 161.10732 153.9
[M+K]+ 182.03666 137.4
[M+H-H2O]+ 126.07076 120.1
[M+HCOO]- 188.07170 151.8
[M+CH3COO]- 202.08735 144.8
[M+Na-2H]- 164.04817 138.0
[M]+ 143.07295 125.7
[M]- 143.07405 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