CID 21430514

5-iodoquinoxalin-6-amine

Structural Information

Molecular Formula
C8H6IN3
SMILES
C1=CC2=NC=CN=C2C(=C1N)I
InChI
InChI=1S/C8H6IN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2
InChIKey
KHNROOYMVZFPJF-UHFFFAOYSA-N
Compound name
5-iodoquinoxalin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

270.96063 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.96791 136.8
[M+Na]+ 293.94985 139.8
[M-H]- 269.95335 131.7
[M+NH4]+ 288.99445 150.8
[M+K]+ 309.92379 142.1
[M+H-H2O]+ 253.95789 126.0
[M+HCOO]- 315.95883 154.2
[M+CH3COO]- 329.97448 146.0
[M+Na-2H]- 291.93530 134.7
[M]+ 270.96008 132.9
[M]- 270.96118 132.9
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