CID 4278

10465-78-8

Structural Information

Molecular Formula
C6H12N4O2
SMILES
CN(C)C(=O)N=NC(=O)N(C)C
InChI
InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3
InChIKey
VLSDXINSOMDCBK-UHFFFAOYSA-N
Compound name
3-(dimethylcarbamoylimino)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1246
References

29587
Patents

172.09602 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.103296 137.8
[M+Na]+ 195.085238 143.4
[M-H]- 171.088744 144.1
[M+NH4]+ 190.129843 159.5
[M+K]+ 211.059178 147.9
[M+H-H2O]+ 155.093280 130.7
[M+HCOO]- 217.094221 168.6
[M+CH3COO]- 231.109871 198.9
[M+Na-2H]- 193.070686 142.7
[M]+ 172.09547142 141.2
[M]- 172.09656858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe