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-iodopyridin-3-yl)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]+ 250.96759 139.4
[M+Na]+ 272.94953 141.2
[M-H]- 248.95303 133.7
[M+NH4]+ 267.99413 153.8
[M+K]+ 288.92347 144.6
[M+H-H2O]+ 232.95757 129.8
[M+HCOO]- 294.95851 157.3
[M+CH3COO]- 308.97416 182.6
[M+Na-2H]- 270.93498 133.6
[M]+ 249.95976 134.8
[M]- 249.96086 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