CID 45053

63887-52-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CN(C)C(=O)C1=CC=CC=C1OCC=C

InChI

InChI=1S/C12H15NO2/c1-4-9-15-11-8-6-5-7-10(11)12(14)13(2)3/h4-8H,1,9H2,2-3H3

InChIKey

FIWNTYXJJOOZFV-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-prop-2-enoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.11028 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]+	206.11756	145.5
[M+Na]+	228.09950	152.2
[M-H]-	204.10300	150.5
[M+NH4]+	223.14410	165.0
[M+K]+	244.07344	151.3
[M+H-H2O]+	188.10754	138.9
[M+HCOO]-	250.10848	170.5
[M+CH3COO]-	264.12413	192.3
[M+Na-2H]-	226.08495	149.8
[M]+	205.10973	148.2
[M]-	205.11083	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe