CID 86727847

2-(2-chloropyridin-4-yl)propan-2-ol

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CC(C)(C1=CC(=NC=C1)Cl)O
InChI
InChI=1S/C8H10ClNO/c1-8(2,11)6-3-4-10-7(9)5-6/h3-5,11H,1-2H3
InChIKey
UJYCQEQOWVMVCW-UHFFFAOYSA-N
Compound name
2-(2-chloropyridin-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

171.04509 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 133.8
[M+Na]+ 194.03431 147.6
[M+NH4]+ 189.07891 142.5
[M+K]+ 210.00825 141.4
[M-H]- 170.03781 134.9
[M+Na-2H]- 192.01976 141.2
[M]+ 171.04454 136.5
[M]- 171.04564 136.5
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