CID 17750179

618107-90-7

Structural Information

Molecular Formula
C6H7IN2O
SMILES
C1=C(C=NC(=C1CO)N)I
InChI
InChI=1S/C6H7IN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2,(H2,8,9)
InChIKey
PRUOIEDNVWNRSO-UHFFFAOYSA-N
Compound name
(2-amino-5-iodo-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

249.96031 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.967586 139.4
[M+Na]+ 272.949528 141.2
[M-H]- 248.953034 133.7
[M+NH4]+ 267.994133 153.8
[M+K]+ 288.923468 144.6
[M+H-H2O]+ 232.957570 129.8
[M+HCOO]- 294.958511 157.3
[M+CH3COO]- 308.974161 182.6
[M+Na-2H]- 270.934976 133.6
[M]+ 249.95976142 134.8
[M]- 249.96085858 134.8
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