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]+ 144.08078 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

No literature data available for this compound.

Patent stripe

patents stripe