CID 126831685

2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CNCC2=C1C(=CC=C2)CC#N
InChI
InChI=1S/C11H12N2/c12-6-4-9-2-1-3-10-8-13-7-5-11(9)10/h1-3,13H,4-5,7-8H2
InChIKey
DYHGUAKWNCFCBU-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 137.8
[M+Na]+ 195.089268 146.9
[M-H]- 171.092774 138.5
[M+NH4]+ 190.133873 155.1
[M+K]+ 211.063208 140.8
[M+H-H2O]+ 155.097310 125.0
[M+HCOO]- 217.098251 152.8
[M+CH3COO]- 231.113901 148.4
[M+Na-2H]- 193.074716 144.5
[M]+ 172.09950142 128.7
[M]- 172.10059858 128.7
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

No patent data available for this compound.