CID 84654254

1-(3-chloro-5-methylpyridin-4-yl)ethanol

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CC1=CN=CC(=C1C(C)O)Cl
InChI
InChI=1S/C8H10ClNO/c1-5-3-10-4-7(9)8(5)6(2)11/h3-4,6,11H,1-2H3
InChIKey
NGZIWFXKFPLGIH-UHFFFAOYSA-N
Compound name
1-(3-chloro-5-methylpyridin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04509 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 131.9
[M+Na]+ 194.03431 141.8
[M-H]- 170.03781 133.4
[M+NH4]+ 189.07891 151.8
[M+K]+ 210.00825 138.2
[M+H-H2O]+ 154.04235 127.1
[M+HCOO]- 216.04329 148.7
[M+CH3COO]- 230.05894 177.3
[M+Na-2H]- 192.01976 137.3
[M]+ 171.04454 133.6
[M]- 171.04564 133.6
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.