CID 44340584

1803583-87-0

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
C1=C(C=NC=C1Cl)OCCN
InChI
InChI=1S/C7H9ClN2O/c8-6-3-7(5-10-4-6)11-2-1-9/h3-5H,1-2,9H2
InChIKey
JVCHBIRDUSSLFJ-UHFFFAOYSA-N
Compound name
2-(5-chloropyridin-3-yl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

172.04034 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 132.5
[M+Na]+ 195.02956 141.6
[M-H]- 171.03306 134.3
[M+NH4]+ 190.07416 152.0
[M+K]+ 211.00350 138.1
[M+H-H2O]+ 155.03760 126.7
[M+HCOO]- 217.03854 152.4
[M+CH3COO]- 231.05419 179.0
[M+Na-2H]- 193.01501 139.9
[M]+ 172.03979 134.1
[M]- 172.04089 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe