CID 86345

118178-79-3

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC1=C(C(=O)C=CN1CCOC)O
InChI
InChI=1S/C9H13NO3/c1-7-9(12)8(11)3-4-10(7)5-6-13-2/h3-4,12H,5-6H2,1-2H3
InChIKey
CBPRDGWDQCRPEW-UHFFFAOYSA-N
Compound name
3-hydroxy-1-(2-methoxyethyl)-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

38
Patents

183.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 136.0
[M+Na]+ 206.078758 146.0
[M-H]- 182.082264 137.8
[M+NH4]+ 201.123363 154.7
[M+K]+ 222.052698 144.1
[M+H-H2O]+ 166.086800 130.0
[M+HCOO]- 228.087741 158.7
[M+CH3COO]- 242.103391 180.1
[M+Na-2H]- 204.064206 141.7
[M]+ 183.08899142 139.4
[M]- 183.09008858 139.4
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