CID 121732

30652-13-2

Structural Information

Molecular Formula
C9H13NO2
SMILES
CCCN1C=CC(=O)C(=C1C)O
InChI
InChI=1S/C9H13NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h4,6,12H,3,5H2,1-2H3
InChIKey
BFUSTCYJXIZANF-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methyl-1-propylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

73
Patents

167.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 133.0
[M+Na]+ 190.08386 143.1
[M-H]- 166.08736 134.8
[M+NH4]+ 185.12846 152.4
[M+K]+ 206.05780 140.6
[M+H-H2O]+ 150.09190 127.3
[M+HCOO]- 212.09284 155.4
[M+CH3COO]- 226.10849 178.0
[M+Na-2H]- 188.06931 138.7
[M]+ 167.09409 134.9
[M]- 167.09519 134.9
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