CID 22727217

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

171.04509 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 133.2
[M+Na]+ 194.03431 142.7
[M-H]- 170.03781 134.5
[M+NH4]+ 189.07891 152.8
[M+K]+ 210.00825 139.0
[M+H-H2O]+ 154.04235 128.5
[M+HCOO]- 216.04329 149.3
[M+CH3COO]- 230.05894 175.6
[M+Na-2H]- 192.01976 141.0
[M]+ 171.04454 134.6
[M]- 171.04564 134.6
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

patents stripe