CID 53350341

2-(2-chloropyridin-4-yl)ethanol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1=CN=C(C=C1CCO)Cl
InChI
InChI=1S/C7H8ClNO/c8-7-5-6(2-4-10)1-3-9-7/h1,3,5,10H,2,4H2
InChIKey
BQPLLPCQEXIZDS-UHFFFAOYSA-N
Compound name
2-(2-chloropyridin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

157.02943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 127.9
[M+Na]+ 180.01865 137.5
[M-H]- 156.02215 129.0
[M+NH4]+ 175.06325 148.0
[M+K]+ 195.99259 133.6
[M+H-H2O]+ 140.02669 122.8
[M+HCOO]- 202.02763 146.0
[M+CH3COO]- 216.04328 172.3
[M+Na-2H]- 178.00410 135.7
[M]+ 157.02888 129.4
[M]- 157.02998 129.4
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