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 175.5
[M+Na]+ 371.16494 175.5
[M-H]- 347.16844 177.4
[M+NH4]+ 366.20954 219.5
[M+K]+ 387.13888 179.2
[M+H-H2O]+ 331.17298 165.5
[M+HCOO]- 393.17392 216.2
[M+CH3COO]- 407.18957 231.1
[M+Na-2H]- 369.15039 178.0
[M]+ 348.17517 180.4
[M]- 348.17627 180.4
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.