CID 89246623

1206248-42-1

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
C1=CN=C(C=C1NCCO)Cl
InChI
InChI=1S/C7H9ClN2O/c8-7-5-6(1-2-10-7)9-3-4-11/h1-2,5,11H,3-4H2,(H,9,10)
InChIKey
HTKWOLZVBMRSAK-UHFFFAOYSA-N
Compound name
2-[(2-chloropyridin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

172.04034 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 132.5
[M+Na]+ 195.02956 141.1
[M-H]- 171.03306 133.4
[M+NH4]+ 190.07416 151.6
[M+K]+ 211.00350 137.1
[M+H-H2O]+ 155.03760 126.9
[M+HCOO]- 217.03854 151.6
[M+CH3COO]- 231.05419 177.1
[M+Na-2H]- 193.01501 140.5
[M]+ 172.03979 133.2
[M]- 172.04089 133.2
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

No patent data available for this compound.