CID 120023

28711-05-9

Structural Information

Molecular Formula

C₉H₁₄N₂O₄

SMILES

C=CC(=O)N(CN(CO)C(=O)C=C)CO

InChI

InChI=1S/C9H14N2O4/c1-3-8(14)10(6-12)5-11(7-13)9(15)4-2/h3-4,12-13H,1-2,5-7H2

InChIKey

ZGRZYEIIQUWUFZ-UHFFFAOYSA-N

Compound name

N-(hydroxymethyl)-N-[[hydroxymethyl(prop-2-enoyl)amino]methyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 214.09535 Da
Monoisotopic Mass: -0.7
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]+	215.102626	148.0
[M+Na]+	237.084568	152.4
[M-H]-	213.088074	148.0
[M+NH4]+	232.129173	165.5
[M+K]+	253.058508	152.9
[M+H-H2O]+	197.092610	141.9
[M+HCOO]-	259.093551	170.6
[M+CH3COO]-	273.109201	192.8
[M+Na-2H]-	235.070016	149.0
[M]+	214.09480142	148.9
[M]-	214.09589858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe