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-chloropyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

158.02469 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 128.5
[M+Na]+ 181.01391 138.5
[M-H]- 157.01741 129.5
[M+NH4]+ 176.05851 148.2
[M+K]+ 196.98785 134.4
[M+H-H2O]+ 141.02195 123.5
[M+HCOO]- 203.02289 147.2
[M+CH3COO]- 217.03854 174.6
[M+Na-2H]- 178.99936 135.2
[M]+ 158.02414 128.2
[M]- 158.02524 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