CID 208721

Brn 2399859

Structural Information

Molecular Formula
C12H24N6O6
SMILES
C(CCCN(C(=O)NCCO)N=O)CCN(C(=O)NCCO)N=O
InChI
InChI=1S/C12H24N6O6/c19-9-5-13-11(21)17(15-23)7-3-1-2-4-8-18(16-24)12(22)14-6-10-20/h19-20H,1-10H2,(H,13,21)(H,14,22)
InChIKey
FNUQEIRCUYISDG-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-1-[6-[2-hydroxyethylcarbamoyl(nitroso)amino]hexyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.17572 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18300 179.9
[M+Na]+ 371.16494 179.5
[M+NH4]+ 366.20954 221.0
[M+K]+ 387.13888 221.6
[M-H]- 347.16844 177.4
[M+Na-2H]- 369.15039 178.2
[M]+ 348.17517 177.7
[M]- 348.17627 177.7
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.