CID 14084218

5,6,7,8-tetrahydroisoquinoline-1-carbonitrile

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CCC2=C(C1)C=CN=C2C#N
InChI
InChI=1S/C10H10N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h5-6H,1-4H2
InChIKey
CZPYOWGKJLSDSO-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroisoquinoline-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

158.0844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 132.4
[M+Na]+ 181.073618 142.2
[M-H]- 157.077124 134.5
[M+NH4]+ 176.118223 150.8
[M+K]+ 197.047558 137.1
[M+H-H2O]+ 141.081660 119.4
[M+HCOO]- 203.082601 149.1
[M+CH3COO]- 217.098251 144.0
[M+Na-2H]- 179.059066 140.1
[M]+ 158.08385142 124.6
[M]- 158.08494858 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