CID 9543125

2,6-dihydroxy-n-methylmyosmine

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CN1CCC=C1C2=C(NC(=O)C=C2)O
InChI
InChI=1S/C10H12N2O2/c1-12-6-2-3-8(12)7-4-5-9(13)11-10(7)14/h3-5H,2,6H2,1H3,(H2,11,13,14)
InChIKey
HYVACOFBTBHJLM-UHFFFAOYSA-N
Compound name
6-hydroxy-5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 140.1
[M+Na]+ 215.079088 149.5
[M-H]- 191.082594 142.3
[M+NH4]+ 210.123693 157.7
[M+K]+ 231.053028 145.3
[M+H-H2O]+ 175.087130 133.1
[M+HCOO]- 237.088071 160.1
[M+CH3COO]- 251.103721 177.3
[M+Na-2H]- 213.064536 143.6
[M]+ 192.08932142 137.8
[M]- 192.09041858 137.8
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

No patent data available for this compound.