CID 101378

Urea, 1,1'-pentamethylenebis(3-methyl-3-nitroso-

Structural Information

Molecular Formula
C9H18N6O4
SMILES
CN(C(=O)NCCCCCNC(=O)N(C)N=O)N=O
InChI
InChI=1S/C9H18N6O4/c1-14(12-18)8(16)10-6-4-3-5-7-11-9(17)15(2)13-19/h3-7H2,1-2H3,(H,10,16)(H,11,17)
InChIKey
CZFFBIAMHLPJJM-UHFFFAOYSA-N
Compound name
1-methyl-3-[5-[[methyl(nitroso)carbamoyl]amino]pentyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13895 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14623 160.6
[M+Na]+ 297.12817 163.1
[M-H]- 273.13167 166.0
[M+NH4]+ 292.17277 176.9
[M+K]+ 313.10211 167.7
[M+H-H2O]+ 257.13621 151.2
[M+HCOO]- 319.13715 192.9
[M+CH3COO]- 333.15280 222.4
[M+Na-2H]- 295.11362 164.9
[M]+ 274.13840 165.5
[M]- 274.13950 165.5
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.