CID 119272

1,1-ethylenebis(1-nitrosourea)

Structural Information

Molecular Formula
C4H8N6O4
SMILES
C(CN(C(=O)N)N=O)N(C(=O)N)N=O
InChI
InChI=1S/C4H8N6O4/c5-3(11)9(7-13)1-2-10(8-14)4(6)12/h1-2H2,(H2,5,11)(H2,6,12)
InChIKey
YXRMZJVHQODXOZ-UHFFFAOYSA-N
Compound name
1-[2-[carbamoyl(nitroso)amino]ethyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

204.0607 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06798 141.8
[M+Na]+ 227.04992 144.4
[M+NH4]+ 222.09452 145.3
[M+K]+ 243.02386 144.7
[M-H]- 203.05342 141.4
[M+Na-2H]- 225.03537 143.0
[M]+ 204.06015 140.9
[M]- 204.06125 140.9
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

No patent data available for this compound.