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 137.4
[M+Na]+ 227.04992 141.8
[M-H]- 203.05342 142.5
[M+NH4]+ 222.09452 155.7
[M+K]+ 243.02386 146.9
[M+H-H2O]+ 187.05796 128.8
[M+HCOO]- 249.05890 170.0
[M+CH3COO]- 263.07455 207.8
[M+Na-2H]- 225.03537 142.0
[M]+ 204.06015 138.5
[M]- 204.06125 138.5
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.