CID 17861

3-pyridinepropanol

Structural Information

Molecular Formula
C8H11NO
SMILES
C1=CC(=CN=C1)CCCO
InChI
InChI=1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2
InChIKey
ZUGAIMFLQLPTKB-UHFFFAOYSA-N
Compound name
3-pyridin-3-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1444
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 140.8
[M+NH4]+ 155.11788 136.5
[M+K]+ 176.04722 134.0
[M-H]- 136.07678 129.5
[M+Na-2H]- 158.05873 135.5
[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