CID 375574

Nsc655363

Structural Information

Molecular Formula
C10H12N2O6
SMILES
CC1=C2N(C3C(C(O2)C(O3)CO)O)C(=O)NC1=O
InChI
InChI=1S/C10H12N2O6/c1-3-7(15)11-10(16)12-8(3)18-6-4(2-13)17-9(12)5(6)14/h4-6,9,13-14H,2H2,1H3,(H,11,15,16)
InChIKey
SZLOGICZRVBRQC-UHFFFAOYSA-N
Compound name
12-hydroxy-10-(hydroxymethyl)-6-methyl-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06955 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07683 151.8
[M+Na]+ 279.05877 162.9
[M-H]- 255.06227 151.6
[M+NH4]+ 274.10337 166.6
[M+K]+ 295.03271 161.2
[M+H-H2O]+ 239.06681 146.6
[M+HCOO]- 301.06775 164.0
[M+CH3COO]- 315.08340 189.9
[M+Na-2H]- 277.04422 157.0
[M]+ 256.06900 154.7
[M]- 256.07010 154.7
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.