CID 49461

67195-67-9

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CCC1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN(C)C

InChI

InChI=1S/C14H17NO3/c1-4-9-7-13(17)10-5-6-12(16)11(8-15(2)3)14(10)18-9/h5-7,16H,4,8H2,1-3H3

InChIKey

VTPKETNQYUYUGS-UHFFFAOYSA-N

Compound name

8-[(dimethylamino)methyl]-2-ethyl-7-hydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.12085 Da
Monoisotopic Mass: 1.8
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]+	248.128126	154.4
[M+Na]+	270.110068	163.9
[M-H]-	246.113574	160.5
[M+NH4]+	265.154673	172.0
[M+K]+	286.084008	162.6
[M+H-H2O]+	230.118110	147.8
[M+HCOO]-	292.119051	177.1
[M+CH3COO]-	306.134701	199.8
[M+Na-2H]-	268.095516	160.3
[M]+	247.12030142	159.4
[M]-	247.12139858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.