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

11
Patents

269.9654 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.972676 138.1
[M+Na]+ 292.954618 140.6
[M-H]- 268.958124 134.2
[M+NH4]+ 287.999223 153.4
[M+K]+ 308.928558 142.9
[M+H-H2O]+ 252.962660 128.0
[M+HCOO]- 314.963601 156.3
[M+CH3COO]- 328.979251 147.6
[M+Na-2H]- 290.940066 135.2
[M]+ 269.96485142 134.0
[M]- 269.96594858 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