CID 4580583

2-(4-pyridyl)-2-propanol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(C)(C1=CC=NC=C1)O
InChI
InChI=1S/C8H11NO/c1-8(2,10)7-3-5-9-6-4-7/h3-6,10H,1-2H3
InChIKey
WEQVCDIJDUVSID-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

137.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.9
[M+Na]+ 160.07328 135.9
[M-H]- 136.07678 129.1
[M+NH4]+ 155.11788 147.9
[M+K]+ 176.04722 134.1
[M+H-H2O]+ 120.08132 122.5
[M+HCOO]- 182.08226 148.7
[M+CH3COO]- 196.09791 170.6
[M+Na-2H]- 158.05873 136.9
[M]+ 137.08351 127.1
[M]- 137.08461 127.1
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