CID 80515

3-pyridineethanol

Structural Information

Molecular Formula
C7H9NO
SMILES
C1=CC(=CN=C1)CCO
InChI
InChI=1S/C7H9NO/c9-5-3-7-2-1-4-8-6-7/h1-2,4,6,9H,3,5H2
InChIKey
YPWSASPSYAWQRK-UHFFFAOYSA-N
Compound name
2-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1473
Patents

123.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.9
[M+Na]+ 146.05763 130.7
[M-H]- 122.06113 123.8
[M+NH4]+ 141.10223 143.2
[M+K]+ 162.03157 128.9
[M+H-H2O]+ 106.06567 116.9
[M+HCOO]- 168.06661 145.6
[M+CH3COO]- 182.08226 167.3
[M+Na-2H]- 144.04308 131.8
[M]+ 123.06786 122.1
[M]- 123.06896 122.1
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