CID 21155927

Kfjippbknpszom-uhfffaoysa-n

Structural Information

Molecular Formula

C₄H₈N₄O₂

SMILES

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

InChI

InChI=1S/C4H8N4O2/c5-2(6)1(3(7)9)4(8)10/h1H,(H3,5,6)(H2,7,9)(H2,8,10)

InChIKey

GGACTJYCAOSVOI-UHFFFAOYSA-N

Compound name

2-carbamimidoylpropanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 144.06473 Da
Monoisotopic Mass: -2.6
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]+	145.072006	129.8
[M+Na]+	167.053948	134.3
[M-H]-	143.057454	129.0
[M+NH4]+	162.098553	148.4
[M+K]+	183.027888	134.7
[M+H-H2O]+	127.061990	123.6
[M+HCOO]-	189.062931	153.3
[M+CH3COO]-	203.078581	184.7
[M+Na-2H]-	165.039396	130.2
[M]+	144.06418142	122.0
[M]-	144.06527858	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe