CID 121412669

1-carboxybiuret(1-)

Structural Information

Molecular Formula

C₃H₅N₃O₄

SMILES

C(=O)(N)NC(=O)NC(=O)O

InChI

InChI=1S/C3H5N3O4/c4-1(7)5-2(8)6-3(9)10/h(H,9,10)(H4,4,5,6,7,8)

InChIKey

HAKPEUOAOGGSPC-UHFFFAOYSA-N

Compound name

carbamoylcarbamoylcarbamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 147.028 Da
Monoisotopic Mass: 0.1
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]+	148.03528	126.6
[M+Na]+	170.01722	132.2
[M-H]-	146.02072	125.5
[M+NH4]+	165.06182	145.5
[M+K]+	185.99116	133.0
[M+H-H2O]+	130.02526	120.8
[M+HCOO]-	192.02620	150.7
[M+CH3COO]-	206.04185	175.7
[M+Na-2H]-	168.00267	130.3
[M]+	147.02745	122.5
[M]-	147.02855	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe