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

7
Patents

130.08546 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.09274 127.7
[M+Na]+ 153.07468 133.3
[M-H]- 129.07818 130.3
[M+NH4]+ 148.11928 149.2
[M+K]+ 169.04862 135.4
[M+H-H2O]+ 113.08272 121.4
[M+HCOO]- 175.08366 155.5
[M+CH3COO]- 189.09931 185.6
[M+Na-2H]- 151.06013 131.6
[M]+ 130.08491 124.5
[M]- 130.08601 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe