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

128
Patents

137.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.9
[M+Na]+ 160.073278 135.9
[M-H]- 136.076784 129.1
[M+NH4]+ 155.117883 147.9
[M+K]+ 176.047218 134.1
[M+H-H2O]+ 120.081320 122.5
[M+HCOO]- 182.082261 148.7
[M+CH3COO]- 196.097911 170.6
[M+Na-2H]- 158.058726 136.9
[M]+ 137.08351142 127.1
[M]- 137.08460858 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