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]+ 173.10733 137.8
[M+Na]+ 195.08927 146.9
[M-H]- 171.09277 138.5
[M+NH4]+ 190.13387 155.1
[M+K]+ 211.06321 140.8
[M+H-H2O]+ 155.09731 125.0
[M+HCOO]- 217.09825 152.8
[M+CH3COO]- 231.11390 148.4
[M+Na-2H]- 193.07472 144.5
[M]+ 172.09950 128.7
[M]- 172.10060 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.