CID 114681

2-ethyl-3-hydroxy-6-methylpyridine

Structural Information

Molecular Formula
C8H11NO
SMILES
CCC1=C(C=CC(=N1)C)O
InChI
InChI=1S/C8H11NO/c1-3-7-8(10)5-4-6(2)9-7/h4-5,10H,3H2,1-2H3
InChIKey
JPGDYIGSCHWQCC-UHFFFAOYSA-N
Compound name
2-ethyl-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

312
References

991
Patents

137.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.6
[M+Na]+ 160.07328 136.0
[M-H]- 136.07678 128.3
[M+NH4]+ 155.11788 147.1
[M+K]+ 176.04722 134.0
[M+H-H2O]+ 120.08132 121.1
[M+HCOO]- 182.08226 149.0
[M+CH3COO]- 196.09791 172.5
[M+Na-2H]- 158.05873 133.7
[M]+ 137.08351 127.1
[M]- 137.08461 127.1
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