CID 19701

Biurea, 1,6-dimethyl-1,6-dinitroso-

Structural Information

Molecular Formula
C4H8N6O4
SMILES
CN(C(=O)NNC(=O)N(C)N=O)N=O
InChI
InChI=1S/C4H8N6O4/c1-9(7-13)3(11)5-6-4(12)10(2)8-14/h1-2H3,(H,5,11)(H,6,12)
InChIKey
VWCDVSANFVCUOI-UHFFFAOYSA-N
Compound name
1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0607 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06798 138.4
[M+Na]+ 227.04992 143.1
[M-H]- 203.05342 144.7
[M+NH4]+ 222.09452 157.6
[M+K]+ 243.02386 148.8
[M+H-H2O]+ 187.05796 129.9
[M+HCOO]- 249.05890 172.3
[M+CH3COO]- 263.07455 206.9
[M+Na-2H]- 225.03537 145.1
[M]+ 204.06015 141.4
[M]- 204.06125 141.4
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

No patent data available for this compound.