CID 93113

Bis(n-carbamyl-n-nitroso)hexamethylenediamine

Structural Information

Molecular Formula
C8H16N6O4
SMILES
C(CCCN(C(=O)N)N=O)CCN(C(=O)N)N=O
InChI
InChI=1S/C8H16N6O4/c9-7(15)13(11-17)5-3-1-2-4-6-14(12-18)8(10)16/h1-6H2,(H2,9,15)(H2,10,16)
InChIKey
RRUYOJAFICBJOF-UHFFFAOYSA-N
Compound name
1-[6-[carbamoyl(nitroso)amino]hexyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1233 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13058 155.3
[M+Na]+ 283.11252 158.0
[M-H]- 259.11602 159.7
[M+NH4]+ 278.15712 171.4
[M+K]+ 299.08646 162.2
[M+H-H2O]+ 243.12056 146.0
[M+HCOO]- 305.12150 186.6
[M+CH3COO]- 319.13715 219.7
[M+Na-2H]- 281.09797 158.0
[M]+ 260.12275 157.9
[M]- 260.12385 157.9
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.