CID 12758260

423169-40-8

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1=CC(=C(N=C1)CO)CO
InChI
InChI=1S/C7H9NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,9-10H,4-5H2
InChIKey
DFTLQVHYDAMGCG-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)pyridin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

139.06332 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 126.7
[M+Na]+ 162.05254 139.2
[M+NH4]+ 157.09714 134.6
[M+K]+ 178.02648 133.7
[M-H]- 138.05604 127.3
[M+Na-2H]- 160.03799 133.2
[M]+ 139.06277 128.5
[M]- 139.06387 128.5
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