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
1
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]+ 193.09715 140.1
[M+Na]+ 215.07909 149.5
[M-H]- 191.08259 142.3
[M+NH4]+ 210.12369 157.7
[M+K]+ 231.05303 145.3
[M+H-H2O]+ 175.08713 133.1
[M+HCOO]- 237.08807 160.1
[M+CH3COO]- 251.10372 177.3
[M+Na-2H]- 213.06454 143.6
[M]+ 192.08932 137.8
[M]- 192.09042 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.