CID 101192

4754-27-2

Structural Information

Molecular Formula
C7H9NO
SMILES
CC(C1=CN=CC=C1)O
InChI
InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3
InChIKey
QMDUEBURHKSKDG-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

849
Patents

123.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 123.2
[M+Na]+ 146.057628 130.8
[M-H]- 122.061134 124.3
[M+NH4]+ 141.102233 143.5
[M+K]+ 162.031568 129.4
[M+H-H2O]+ 106.065670 117.4
[M+HCOO]- 168.066611 144.9
[M+CH3COO]- 182.082261 168.1
[M+Na-2H]- 144.043076 130.9
[M]+ 123.06786142 121.8
[M]- 123.06895858 121.8
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