CID 67428643

886856-92-4

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC(C1=C(C=NC=C1)Cl)O
InChI
InChI=1S/C7H8ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3
InChIKey
JQOWLEAPTKFXJG-UHFFFAOYSA-N
Compound name
1-(3-chloropyridin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

157.02943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 127.8
[M+Na]+ 180.01865 137.1
[M-H]- 156.02215 129.0
[M+NH4]+ 175.06325 147.9
[M+K]+ 195.99259 133.7
[M+H-H2O]+ 140.02669 122.9
[M+HCOO]- 202.02763 144.9
[M+CH3COO]- 216.04328 173.1
[M+Na-2H]- 178.00410 134.4
[M]+ 157.02888 128.7
[M]- 157.02998 128.7
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