CID 5288606

7-iodo-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H10IN
SMILES
C1CNCC2=C1C=CC(=C2)I
InChI
InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChIKey
FFCFXJXBXUOFIU-UHFFFAOYSA-N
Compound name
7-iodo-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

38
Patents

258.9858 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99308 133.6
[M+Na]+ 281.97502 133.7
[M-H]- 257.97852 127.9
[M+NH4]+ 277.01962 148.8
[M+K]+ 297.94896 136.0
[M+H-H2O]+ 241.98306 123.9
[M+HCOO]- 303.98400 147.4
[M+CH3COO]- 317.99965 141.9
[M+Na-2H]- 279.96047 129.9
[M]+ 258.98525 126.3
[M]- 258.98635 126.3
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