CID 52944012

6-hydroxy-n-methylmyosmine(1+)

Structural Information

Molecular Formula
C10H12N2O
SMILES
CN1CCC=C1C2=CNC(=O)C=C2
InChI
InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)
InChIKey
LWGKCPAYDQWMMS-UHFFFAOYSA-N
Compound name
5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

176.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 137.7
[M+Na]+ 199.08418 150.9
[M+NH4]+ 194.12878 145.8
[M+K]+ 215.05812 146.2
[M-H]- 175.08768 139.9
[M+Na-2H]- 197.06963 145.1
[M]+ 176.09441 140.1
[M]- 176.09551 140.1
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