CID 5361751

8-(dimethylamino)methyl-7-hydroxy-3-methylchromone hydrochloride

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1=COC2=C(C1=O)C=CC(=C2CN(C)C)O
InChI
InChI=1S/C13H15NO3/c1-8-7-17-13-9(12(8)16)4-5-11(15)10(13)6-14(2)3/h4-5,7,15H,6H2,1-3H3
InChIKey
IBYKCDOBLPOIQH-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-7-hydroxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 149.6
[M+Na]+ 256.09442 159.5
[M-H]- 232.09792 155.9
[M+NH4]+ 251.13902 167.8
[M+K]+ 272.06836 158.5
[M+H-H2O]+ 216.10246 143.2
[M+HCOO]- 278.10340 172.6
[M+CH3COO]- 292.11905 196.8
[M+Na-2H]- 254.07987 156.1
[M]+ 233.10465 154.2
[M]- 233.10575 154.2
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.