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

48
Patents

247.94466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95194 136.1
[M+Na]+ 270.93388 138.6
[M-H]- 246.93738 131.7
[M+NH4]+ 265.97848 151.2
[M+K]+ 286.90782 142.3
[M+H-H2O]+ 230.94192 126.3
[M+HCOO]- 292.94286 155.6
[M+CH3COO]- 306.95851 184.1
[M+Na-2H]- 268.91933 130.9
[M]+ 247.94411 132.7
[M]- 247.94521 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