CID 60099269

2-(2-chloropyridin-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1=CC(=C(N=C1)Cl)CCO
InChI
InChI=1S/C7H8ClNO/c8-7-6(3-5-10)2-1-4-9-7/h1-2,4,10H,3,5H2
InChIKey
KNHQHJQPALERPQ-UHFFFAOYSA-N
Compound name
2-(2-chloro-3-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

157.02943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 127.9
[M+Na]+ 180.018648 137.5
[M-H]- 156.022154 129.0
[M+NH4]+ 175.063253 148.0
[M+K]+ 195.992588 133.6
[M+H-H2O]+ 140.026690 122.8
[M+HCOO]- 202.027631 146.0
[M+CH3COO]- 216.043281 172.3
[M+Na-2H]- 178.004096 135.7
[M]+ 157.02888142 129.4
[M]- 157.02997858 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