CID 59429

102516-67-6

Structural Information

Molecular Formula
C10H17N6O7
SMILES
C(CC(=O)C[N+]#N)CN(CCN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H16N6O7/c11-12-8-9(17)2-1-4-13(15(20)21)6-7-14(16(22)23)5-3-10(18)19/h1-8H2/p+1
InChIKey
NXRWOGRWYCNSKK-UHFFFAOYSA-O
Compound name
5-[2-[2-carboxyethyl(nitro)amino]ethyl-nitroamino]-2-oxopentane-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11588 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12316 240.7
[M+Na]+ 356.10510 251.9
[M-H]- 332.10860 251.6
[M+NH4]+ 351.14970 251.3
[M+K]+ 372.07904 243.7
[M+H-H2O]+ 316.11314 226.1
[M+HCOO]- 378.11408 247.6
[M+CH3COO]- 392.12973 212.7
[M+Na-2H]- 354.09055 235.8
[M]+ 333.11533 229.3
[M]- 333.11643 229.3
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.