CID 54747

Caracemide

Structural Information

Molecular Formula

C₆H₁₁N₃O₄

SMILES

CC(=O)N(C(=O)NC)OC(=O)NC

InChI

InChI=1S/C6H11N3O4/c1-4(10)9(5(11)7-2)13-6(12)8-3/h1-3H3,(H,7,11)(H,8,12)

InChIKey

JURAJLFHWXNPHG-UHFFFAOYSA-N

Compound name

[acetyl(methylcarbamoyl)amino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 21
References: 14743
Patents: 189.07495 Da
Monoisotopic Mass: -0.2
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]+	190.08223	140.0
[M+Na]+	212.06417	145.3
[M-H]-	188.06767	142.1
[M+NH4]+	207.10877	159.3
[M+K]+	228.03811	148.1
[M+H-H2O]+	172.07221	133.7
[M+HCOO]-	234.07315	166.0
[M+CH3COO]-	248.08880	189.7
[M+Na-2H]-	210.04962	143.2
[M]+	189.07440	141.3
[M]-	189.07550	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe