CID 114681

Emoxypin

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

1350
Patents

137.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.6
[M+Na]+ 160.073278 136.0
[M-H]- 136.076784 128.3
[M+NH4]+ 155.117883 147.1
[M+K]+ 176.047218 134.0
[M+H-H2O]+ 120.081320 121.1
[M+HCOO]- 182.082261 149.0
[M+CH3COO]- 196.097911 172.5
[M+Na-2H]- 158.058726 133.7
[M]+ 137.08351142 127.1
[M]- 137.08460858 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