CID 86330823

2227641-27-0

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C[C@@H](C1=C(N=CC=C1)Cl)O
InChI
InChI=1S/C7H8ClNO/c1-5(10)6-3-2-4-9-7(6)8/h2-5,10H,1H3/t5-/m0/s1
InChIKey
FVMGQROBOUHKQO-YFKPBYRVSA-N
Compound name
(1S)-1-(2-chloropyridin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

157.02943 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.