CID 69006

Citramide

Structural Information

Molecular Formula

C₆H₁₁N₃O₄

SMILES

C(C(=O)N)C(CC(=O)N)(C(=O)N)O

InChI

InChI=1S/C6H11N3O4/c7-3(10)1-6(13,5(9)12)2-4(8)11/h13H,1-2H2,(H2,7,10)(H2,8,11)(H2,9,12)

InChIKey

MPQPXMRGNQJXGO-UHFFFAOYSA-N

Compound name

2-hydroxypropane-1,2,3-tricarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 467
Patents: 189.07495 Da
Monoisotopic Mass: -4.0
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]+	190.082226	138.6
[M+Na]+	212.064168	143.1
[M-H]-	188.067674	136.1
[M+NH4]+	207.108773	155.1
[M+K]+	228.038108	143.1
[M+H-H2O]+	172.072210	133.0
[M+HCOO]-	234.073151	158.9
[M+CH3COO]-	248.088801	186.8
[M+Na-2H]-	210.049616	139.7
[M]+	189.07440142	133.5
[M]-	189.07549858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe