CID 440998

N-(carboxyaminomethyl)urea

Structural Information

Molecular Formula

C₃H₇N₃O₃

SMILES

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

InChI

InChI=1S/C3H7N3O3/c4-2(7)5-1-6-3(8)9/h6H,1H2,(H,8,9)(H3,4,5,7)

InChIKey

HEQOQFYJHRGZCD-UHFFFAOYSA-N

Compound name

(carbamoylamino)methylcarbamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 133.04874 Da
Monoisotopic Mass: -1.5
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]+	134.056016	124.3
[M+Na]+	156.037958	129.8
[M-H]-	132.041464	123.1
[M+NH4]+	151.082563	143.9
[M+K]+	172.011898	130.2
[M+H-H2O]+	116.046000	118.6
[M+HCOO]-	178.046941	149.0
[M+CH3COO]-	192.062591	174.6
[M+Na-2H]-	154.023406	129.3
[M]+	133.04819142	120.4
[M]-	133.04928858	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe