CID 28978304

8-iodo-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H10IN
SMILES
C1CC2=C(C(=CC=C2)I)NC1
InChI
InChI=1S/C9H10IN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2
InChIKey
GYQKIMYDVBKPMQ-UHFFFAOYSA-N
Compound name
8-iodo-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

258.9858 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe