CID 224753

3-hydroxy-5-methylpyridine

Structural Information

Molecular Formula
C6H7NO
SMILES
CC1=CC(=CN=C1)O
InChI
InChI=1S/C6H7NO/c1-5-2-6(8)4-7-3-5/h2-4,8H,1H3
InChIKey
RYJNCIGFPWGVPA-UHFFFAOYSA-N
Compound name
5-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

524
Patents

109.052765 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 117.8
[M+Na]+ 132.041983 127.1
[M-H]- 108.045489 119.4
[M+NH4]+ 127.086588 139.0
[M+K]+ 148.015923 125.5
[M+H-H2O]+ 92.050025 112.4
[M+HCOO]- 154.050966 140.9
[M+CH3COO]- 168.066616 165.3
[M+Na-2H]- 130.027431 126.6
[M]+ 109.05221642 117.1
[M]- 109.05331358 117.1
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