CID 20160555

3-(carbamimidoyl)-1,1-dimethylurea

Structural Information

Molecular Formula

C₄H₁₀N₄O

SMILES

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

InChI

InChI=1S/C4H10N4O/c1-8(2)4(9)7-3(5)6/h1-2H3,(H4,5,6,7,9)

InChIKey

YMYQMVUUWPSXRQ-UHFFFAOYSA-N

Compound name

3-(diaminomethylidene)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 130.08546 Da
Monoisotopic Mass: -0.8
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]+	131.092736	127.7
[M+Na]+	153.074678	133.3
[M-H]-	129.078184	130.3
[M+NH4]+	148.119283	149.2
[M+K]+	169.048618	135.4
[M+H-H2O]+	113.082720	121.4
[M+HCOO]-	175.083661	155.5
[M+CH3COO]-	189.099311	185.6
[M+Na-2H]-	151.060126	131.6
[M]+	130.08491142	124.5
[M]-	130.08600858	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe