CID 18414339

1,2,3,4-tetrahydroisoquinoline-8-carbonitrile

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CNCC2=C1C=CC=C2C#N
InChI
InChI=1S/C10H10N2/c11-6-9-3-1-2-8-4-5-12-7-10(8)9/h1-3,12H,4-5,7H2
InChIKey
VJRSNTBWCLOWAP-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinoline-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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

No literature data available for this compound.

Patent stripe

patents stripe