CID 49766724

Nsc667488

Structural Information

Molecular Formula
C9H10N4O6
SMILES
C1[C@H]2[C@@H]([C@@H]([C@H](O2)N3[C@H](O1)C(=[N+]=[N-])C(=O)NC3=O)O)O
InChI
InChI=1S/C9H10N4O6/c10-12-3-6(16)11-9(17)13-7(3)18-1-2-4(14)5(15)8(13)19-2/h2,4-5,7-8,14-15H,1H2,(H,11,16,17)/t2-,4-,5-,7+,8-/m0/s1
InChIKey
AONDJAXOLVMXPQ-WLEGAKBUSA-N
Compound name
(1S,7R,10S,11R,12S)-6-diazo-11,12-dihydroxy-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

270.06003 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06731 157.2
[M+Na]+ 293.04925 163.0
[M-H]- 269.05275 158.9
[M+NH4]+ 288.09385 169.5
[M+K]+ 309.02319 160.5
[M+H-H2O]+ 253.05729 154.8
[M+HCOO]- 315.05823 169.4
[M+CH3COO]- 329.07388 190.8
[M+Na-2H]- 291.03470 164.0
[M]+ 270.05948 149.0
[M]- 270.06058 149.0
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.