CID 1042718

4-iodoquinolin-3-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

No literature data available for this compound.

Patent stripe

patents stripe