CID 100973

59163-97-2

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CNC(=O)CCOC(=O)C=C

InChI

InChI=1S/C7H11NO3/c1-3-7(10)11-5-4-6(9)8-2/h3H,1,4-5H2,2H3,(H,8,9)

InChIKey

PBVFADSFYQFKNL-UHFFFAOYSA-N

Compound name

[3-(methylamino)-3-oxopropyl] prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 157.0739 Da
Monoisotopic Mass: 0.0
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]+	158.081176	133.0
[M+Na]+	180.063118	139.5
[M-H]-	156.066624	133.3
[M+NH4]+	175.107723	153.6
[M+K]+	196.037058	139.5
[M+H-H2O]+	140.071160	127.9
[M+HCOO]-	202.072101	156.9
[M+CH3COO]-	216.087751	178.6
[M+Na-2H]-	178.048566	137.3
[M]+	157.07335142	134.6
[M]-	157.07444858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe