CID 17750177

578007-67-7

Structural Information

Molecular Formula
C6H5IN2O
SMILES
C1=C(C=NC(=C1C=O)N)I
InChI
InChI=1S/C6H5IN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-3H,(H2,8,9)
InChIKey
DSXSLRYMXWHNPF-UHFFFAOYSA-N
Compound name
2-amino-5-iodopyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

247.94466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.951936 136.1
[M+Na]+ 270.933878 138.6
[M-H]- 246.937384 131.7
[M+NH4]+ 265.978483 151.2
[M+K]+ 286.907818 142.3
[M+H-H2O]+ 230.941920 126.3
[M+HCOO]- 292.942861 155.6
[M+CH3COO]- 306.958511 184.1
[M+Na-2H]- 268.919326 130.9
[M]+ 247.94411142 132.7
[M]- 247.94520858 132.7
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