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-iodo-3-pyridinyl)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]+ 278.998876 149.0
[M+Na]+ 300.980818 150.0
[M-H]- 276.984324 142.9
[M+NH4]+ 296.025423 162.4
[M+K]+ 316.954758 152.9
[M+H-H2O]+ 260.988860 138.9
[M+HCOO]- 322.989801 166.2
[M+CH3COO]- 337.005451 188.3
[M+Na-2H]- 298.966266 142.1
[M]+ 277.99105142 145.1
[M]- 277.99214858 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.