CID 135128

42097-42-7

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=NC(=C(C=C1)O)CO
InChI
InChI=1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
InChIKey
PAGTXDLKXRBHFL-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

296
Patents

139.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.2
[M+Na]+ 162.052538 135.5
[M-H]- 138.056044 126.5
[M+NH4]+ 157.097143 145.7
[M+K]+ 178.026478 133.2
[M+H-H2O]+ 122.060580 120.8
[M+HCOO]- 184.061521 147.6
[M+CH3COO]- 198.077171 168.9
[M+Na-2H]- 160.037986 133.1
[M]+ 139.06277142 125.8
[M]- 139.06386858 125.8
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