CID 15576114

2,3-dihydro-1h-indene-5-carbonitrile

Structural Information

Molecular Formula
C10H9N
SMILES
C1CC2=C(C1)C=C(C=C2)C#N
InChI
InChI=1S/C10H9N/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3H2
InChIKey
LJOVFJHPHSEXLW-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

143.0735 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe