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

0
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 136.4
[M+Na]+ 199.08418 145.4
[M-H]- 175.08768 139.6
[M+NH4]+ 194.12878 155.2
[M+K]+ 215.05812 141.7
[M+H-H2O]+ 159.09222 129.0
[M+HCOO]- 221.09316 157.8
[M+CH3COO]- 235.10881 176.5
[M+Na-2H]- 197.06963 141.1
[M]+ 176.09441 134.1
[M]- 176.09551 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.