CID 494029

Nsc70390

Structural Information

Molecular Formula
C9H10N4O5
SMILES
C1C(C2COC3C(=[N+]=[N-])C(=O)NC(=O)N3C1O2)O
InChI
InChI=1S/C9H10N4O5/c10-12-6-7(15)11-9(16)13-5-1-3(14)4(18-5)2-17-8(6)13/h3-5,8,14H,1-2H2,(H,11,15,16)
InChIKey
GQLWHQCAGAAEES-UHFFFAOYSA-N
Compound name
6-diazo-11-hydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridecane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06512 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07240 153.5
[M+Na]+ 277.05434 159.1
[M-H]- 253.05784 156.1
[M+NH4]+ 272.09894 167.0
[M+K]+ 293.02828 156.6
[M+H-H2O]+ 237.06238 150.8
[M+HCOO]- 299.06332 167.1
[M+CH3COO]- 313.07897 189.5
[M+Na-2H]- 275.03979 161.0
[M]+ 254.06457 145.2
[M]- 254.06567 145.2
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.