CID 28592

8-(dimethylamino)methyl-7-hydroxy-2-methylchromone hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CC1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN(C)C

InChI

InChI=1S/C13H15NO3/c1-8-6-12(16)9-4-5-11(15)10(7-14(2)3)13(9)17-8/h4-6,15H,7H2,1-3H3

InChIKey

DOBNUMDKKUGENR-UHFFFAOYSA-N

Compound name

8-[(dimethylamino)methyl]-7-hydroxy-2-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.112476	149.6
[M+Na]+	256.094418	159.5
[M-H]-	232.097924	155.9
[M+NH4]+	251.139023	167.8
[M+K]+	272.068358	158.5
[M+H-H2O]+	216.102460	143.2
[M+HCOO]-	278.103401	172.6
[M+CH3COO]-	292.119051	196.8
[M+Na-2H]-	254.079866	156.1
[M]+	233.10465142	154.2
[M]-	233.10574858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.