CID 11446487

5,6,7,8-tetrahydroquinoline-2-carbonitrile

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CCC2=C(C1)C=CC(=N2)C#N
InChI
InChI=1S/C10H10N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h5-6H,1-4H2
InChIKey
HWVIKBAAKYHVHW-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

158.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 132.4
[M+Na]+ 181.07362 142.2
[M-H]- 157.07712 134.5
[M+NH4]+ 176.11822 150.8
[M+K]+ 197.04756 137.1
[M+H-H2O]+ 141.08166 119.4
[M+HCOO]- 203.08260 149.1
[M+CH3COO]- 217.09825 144.0
[M+Na-2H]- 179.05907 140.1
[M]+ 158.08385 124.6
[M]- 158.08495 124.6
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