CID 5361755

Chromone, 7-hydroxy-2,3-dimethyl-8-((methylamino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CNC)O)C
InChI
InChI=1S/C13H15NO3/c1-7-8(2)17-13-9(12(7)16)4-5-11(15)10(13)6-14-3/h4-5,14-15H,6H2,1-3H3
InChIKey
CGKWBVAVGTZDFX-UHFFFAOYSA-N
Compound name
7-hydroxy-2,3-dimethyl-8-(methylaminomethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.1
[M+Na]+ 256.09442 164.4
[M+NH4]+ 251.13902 158.1
[M+K]+ 272.06836 158.2
[M-H]- 232.09792 154.2
[M+Na-2H]- 254.07987 155.4
[M]+ 233.10465 153.3
[M]- 233.10575 153.3
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.