CID 207213

Fc 1051

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

CN(C)C(=O)C1=C(C(=CC(=C1)CC=C)OC)O

InChI

InChI=1S/C13H17NO3/c1-5-6-9-7-10(13(16)14(2)3)12(15)11(8-9)17-4/h5,7-8,15H,1,6H2,2-4H3

InChIKey

FQEQLBSNTXZLET-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methoxy-N,N-dimethyl-5-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.12085 Da
Monoisotopic Mass: 2.6
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]+	236.128126	152.3
[M+Na]+	258.110068	159.9
[M-H]-	234.113574	156.4
[M+NH4]+	253.154673	170.4
[M+K]+	274.084008	158.5
[M+H-H2O]+	218.118110	146.1
[M+HCOO]-	280.119051	175.6
[M+CH3COO]-	294.134701	197.3
[M+Na-2H]-	256.095516	154.2
[M]+	235.12030142	155.7
[M]-	235.12139858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe