CID 578865

1-(pyridin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(CC1=CC=CC=N1)O
InChI
InChI=1S/C8H11NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3
InChIKey
GAMOMPUVNAWKHH-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

69
Patents

137.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 128.0
[M+Na]+ 160.07328 140.7
[M+NH4]+ 155.11788 136.6
[M+K]+ 176.04722 134.7
[M-H]- 136.07678 129.4
[M+Na-2H]- 158.05873 135.3
[M]+ 137.08351 130.1
[M]- 137.08461 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe