CID 14665413

1,2,3,4-tetrahydroquinoline-6-carbonitrile

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CC2=C(C=CC(=C2)C#N)NC1
InChI
InChI=1S/C10H10N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5H2
InChIKey
YPCHNZDCUARXNN-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

158.0844 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 133.8
[M+Na]+ 181.07362 143.3
[M-H]- 157.07712 134.7
[M+NH4]+ 176.11822 151.7
[M+K]+ 197.04756 137.5
[M+H-H2O]+ 141.08166 121.2
[M+HCOO]- 203.08260 149.2
[M+CH3COO]- 217.09825 144.8
[M+Na-2H]- 179.05907 141.1
[M]+ 158.08385 124.4
[M]- 158.08495 124.4
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