CID 59678

N(sup 2)-carbamoyl-n(sup 2),n(sup 6)-dinitroso-n(sup 6)-methylaminolysine

Structural Information

Molecular Formula
C8H16N6O5
SMILES
CNN(CCCCC(C(=O)O)N(C(=O)N)N=O)N=O
InChI
InChI=1S/C8H16N6O5/c1-10-13(11-18)5-3-2-4-6(7(15)16)14(12-19)8(9)17/h6,10H,2-5H2,1H3,(H2,9,17)(H,15,16)
InChIKey
FPVUTCYSOMSORQ-UHFFFAOYSA-N
Compound name
2-[carbamoyl(nitroso)amino]-6-[methylamino(nitroso)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.11823 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12551 160.9
[M+Na]+ 299.10745 161.6
[M+NH4]+ 294.15205 162.8
[M+K]+ 315.08139 162.5
[M-H]- 275.11095 159.3
[M+Na-2H]- 297.09290 160.3
[M]+ 276.11768 159.2
[M]- 276.11878 159.2
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.