CID 10241065

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

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CNCC2=C1C=C(C=C2)C#N
InChI
InChI=1S/C10H10N2/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-2,5,12H,3-4,7H2
InChIKey
RKWNQODBLXZUES-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

158.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 138.8
[M+Na]+ 181.07362 151.3
[M+NH4]+ 176.11822 144.8
[M+K]+ 197.04756 140.8
[M-H]- 157.07712 134.0
[M+Na-2H]- 179.05907 142.6
[M]+ 158.08385 138.4
[M]- 158.08495 138.4
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