CID 72922

2-pyridinepropanol

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1794
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 127.5
[M+Na]+ 160.07328 134.9
[M-H]- 136.07678 128.3
[M+NH4]+ 155.11788 147.2
[M+K]+ 176.04722 132.8
[M+H-H2O]+ 120.08132 121.3
[M+HCOO]- 182.08226 149.9
[M+CH3COO]- 196.09791 170.3
[M+Na-2H]- 158.05873 135.9
[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