CID 119085142

3-iodoquinolin-4-amine

Structural Information

Molecular Formula
C9H7IN2
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)I)N
InChI
InChI=1S/C9H7IN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
InChIKey
OFZLIRIPMPOTBQ-UHFFFAOYSA-N
Compound name
3-iodoquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.9654 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.97268 138.1
[M+Na]+ 292.95462 140.6
[M-H]- 268.95812 134.2
[M+NH4]+ 287.99922 153.4
[M+K]+ 308.92856 142.9
[M+H-H2O]+ 252.96266 128.0
[M+HCOO]- 314.96360 156.3
[M+CH3COO]- 328.97925 147.6
[M+Na-2H]- 290.94007 135.2
[M]+ 269.96485 134.0
[M]- 269.96595 134.0
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