CID 206441

3-pyridinemethanol, 4-ethenyl-5-hydroxy-6-methyl-, hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=NC=C(C(=C1O)C=C)CO
InChI
InChI=1S/C9H11NO2/c1-3-8-7(5-11)4-10-6(2)9(8)12/h3-4,11-12H,1,5H2,2H3
InChIKey
NEGPUHDTBFUPPD-UHFFFAOYSA-N
Compound name
4-ethenyl-5-(hydroxymethyl)-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

165.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.6
[M+Na]+ 188.06820 143.3
[M-H]- 164.07170 134.0
[M+NH4]+ 183.11280 152.3
[M+K]+ 204.04214 139.9
[M+H-H2O]+ 148.07624 128.1
[M+HCOO]- 210.07718 154.5
[M+CH3COO]- 224.09283 175.4
[M+Na-2H]- 186.05365 138.8
[M]+ 165.07843 133.6
[M]- 165.07953 133.6
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

No patent data available for this compound.