CID 98659

Urea, 1,1'-tetramethylenebis(1-nitroso-

Structural Information

Molecular Formula
C6H12N6O4
SMILES
C(CCN(C(=O)N)N=O)CN(C(=O)N)N=O
InChI
InChI=1S/C6H12N6O4/c7-5(13)11(9-15)3-1-2-4-12(10-16)6(8)14/h1-4H2,(H2,7,13)(H2,8,14)
InChIKey
WOORRRTYKHSYDD-UHFFFAOYSA-N
Compound name
1-[4-[carbamoyl(nitroso)amino]butyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09201 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09929 146.4
[M+Na]+ 255.08123 150.0
[M-H]- 231.08473 151.1
[M+NH4]+ 250.12583 163.6
[M+K]+ 271.05517 154.6
[M+H-H2O]+ 215.08927 137.4
[M+HCOO]- 277.09021 178.3
[M+CH3COO]- 291.10586 213.8
[M+Na-2H]- 253.06668 150.0
[M]+ 232.09146 148.2
[M]- 232.09256 148.2
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.