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 149.0
[M+Na]+ 300.98082 150.0
[M-H]- 276.98432 142.9
[M+NH4]+ 296.02542 162.4
[M+K]+ 316.95476 152.9
[M+H-H2O]+ 260.98886 138.9
[M+HCOO]- 322.98980 166.2
[M+CH3COO]- 337.00545 188.3
[M+Na-2H]- 298.96627 142.1
[M]+ 277.99105 145.1
[M]- 277.99215 145.1
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.