CID 385467

Nsc676701

Structural Information

Molecular Formula

C₇H₁₀N₂O₄

SMILES

CC(=O)N1CC(NC1=O)C(=O)OC

InChI

InChI=1S/C7H10N2O4/c1-4(10)9-3-5(6(11)13-2)8-7(9)12/h5H,3H2,1-2H3,(H,8,12)

InChIKey

TXCMRFRRAYRMGM-UHFFFAOYSA-N

Compound name

methyl 1-acetyl-2-oxoimidazolidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.06406 Da
Monoisotopic Mass: -0.9
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]+	187.07134	137.7
[M+Na]+	209.05328	145.5
[M-H]-	185.05678	137.5
[M+NH4]+	204.09788	155.9
[M+K]+	225.02722	144.9
[M+H-H2O]+	169.06132	131.6
[M+HCOO]-	231.06226	156.1
[M+CH3COO]-	245.07791	177.3
[M+Na-2H]-	207.03873	138.5
[M]+	186.06351	136.9
[M]-	186.06461	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe