CID 46318126

3-(2-amino-5-iodopyridin-3-yl)propan-1-ol

Structural Information

Molecular Formula
C8H11IN2O
SMILES
C1=C(C=NC(=C1CCCO)N)I
InChI
InChI=1S/C8H11IN2O/c9-7-4-6(2-1-3-12)8(10)11-5-7/h4-5,12H,1-3H2,(H2,10,11)
InChIKey
YNFARIIDFMCPQJ-UHFFFAOYSA-N
Compound name
3-(2-amino-5-iodopyridin-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9916 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99888 146.5
[M+Na]+ 300.98082 150.5
[M+NH4]+ 296.02542 149.7
[M+K]+ 316.95476 147.9
[M-H]- 276.98432 141.7
[M+Na-2H]- 298.96627 139.5
[M]+ 277.99105 144.4
[M]- 277.99215 144.4
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

No patent data available for this compound.