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]+ 277.125506 157.8
[M+Na]+ 299.107448 159.7
[M-H]- 275.110954 161.3
[M+NH4]+ 294.152053 172.6
[M+K]+ 315.081388 164.6
[M+H-H2O]+ 259.115490 148.5
[M+HCOO]- 321.116431 187.5
[M+CH3COO]- 335.132081 221.8
[M+Na-2H]- 297.092896 160.0
[M]+ 276.11768142 160.3
[M]- 276.11877858 160.3
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.