CID 92978071

949003-66-1

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C[C@H](C1=C(C=CN=C1)Cl)O
InChI
InChI=1S/C7H8ClNO/c1-5(10)6-4-9-3-2-7(6)8/h2-5,10H,1H3/t5-/m1/s1
InChIKey
YEAHSGXGXCOVHG-RXMQYKEDSA-N
Compound name
(1R)-1-(4-chloropyridin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 128.3
[M+Na]+ 180.01865 142.4
[M+NH4]+ 175.06325 137.3
[M+K]+ 195.99259 136.0
[M-H]- 156.02215 129.8
[M+Na-2H]- 178.00410 135.8
[M]+ 157.02888 131.0
[M]- 157.02998 131.0
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