CID 9573042

Nsc 69434

Structural Information

Molecular Formula

C₄H₁₀N₄O

SMILES

C/C(=N\NC(=O)N)/CN

InChI

InChI=1S/C4H10N4O/c1-3(2-5)7-8-4(6)9/h2,5H2,1H3,(H3,6,8,9)/b7-3+

InChIKey

WOCATSRKZVWDLR-XVNBXDOJSA-N

Compound name

[(E)-1-aminopropan-2-ylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.08546 Da
Monoisotopic Mass: -1.7
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]+	131.09274	126.7
[M+Na]+	153.07468	131.9
[M-H]-	129.07818	127.7
[M+NH4]+	148.11928	147.4
[M+K]+	169.04862	132.6
[M+H-H2O]+	113.08272	120.4
[M+HCOO]-	175.08366	153.9
[M+CH3COO]-	189.09931	182.9
[M+Na-2H]-	151.06013	131.3
[M]+	130.08491	122.3
[M]-	130.08601	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.