CID 19353056

(3-amino-6-chloropyridin-2-yl)methanol

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
C1=CC(=NC(=C1N)CO)Cl
InChI
InChI=1S/C6H7ClN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-2,10H,3,8H2
InChIKey
ITACSYIQCRMRJH-UHFFFAOYSA-N
Compound name
(3-amino-6-chloro-2-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

158.02469 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.031966 128.5
[M+Na]+ 181.013908 138.5
[M-H]- 157.017414 129.5
[M+NH4]+ 176.058513 148.2
[M+K]+ 196.987848 134.4
[M+H-H2O]+ 141.021950 123.5
[M+HCOO]- 203.022891 147.2
[M+CH3COO]- 217.038541 174.6
[M+Na-2H]- 178.999356 135.2
[M]+ 158.02414142 128.2
[M]- 158.02523858 128.2
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