CID 6480771

Amino(dihydroxy)[?]dione

Structural Information

Molecular Formula
C9H12N4O5
SMILES
C1C2[C@H]([C@H](C(O2)N3C(=C(C(=O)NC3=O)N)N1)O)O
InChI
InChI=1S/C9H12N4O5/c10-3-6-11-1-2-4(14)5(15)8(18-2)13(6)9(17)12-7(3)16/h2,4-5,8,11,14-15H,1,10H2,(H,12,16,17)/t2?,4-,5-,8?/m1/s1
InChIKey
JCDFLOLBZYSOSG-DJJTUOJTSA-N
Compound name
(11S,12R)-6-amino-11,12-dihydroxy-13-oxa-2,4,8-triazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08078 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08806 155.1
[M+Na]+ 279.07000 164.3
[M-H]- 255.07350 153.5
[M+NH4]+ 274.11460 167.9
[M+K]+ 295.04394 164.8
[M+H-H2O]+ 239.07804 148.3
[M+HCOO]- 301.07898 166.1
[M+CH3COO]- 315.09463 164.7
[M+Na-2H]- 277.05545 158.6
[M]+ 256.08023 150.0
[M]- 256.08133 150.0
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.