CID 5369162

1117-37-9

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCOC(=O)/C=C/N(C)C

InChI

InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+

InChIKey

MVUMJYQUKKUOHO-AATRIKPKSA-N

Compound name

ethyl (E)-3-(dimethylamino)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1255
Patents: 143.09464 Da
Monoisotopic Mass: 0.8
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]+	144.10192	131.0
[M+Na]+	166.08386	137.7
[M-H]-	142.08736	132.8
[M+NH4]+	161.12846	153.1
[M+K]+	182.05780	138.8
[M+H-H2O]+	126.09190	125.9
[M+HCOO]-	188.09284	156.0
[M+CH3COO]-	202.10849	180.1
[M+Na-2H]-	164.06931	135.9
[M]+	143.09409	133.9
[M]-	143.09519	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe