CID 393543

Nsc695605

Structural Information

Molecular Formula
C11H15NO6
SMILES
CN(C)C1=C(C(=O)C1=O)C2C(C(C(O2)CO)O)O
InChI
InChI=1S/C11H15NO6/c1-12(2)6-5(8(15)9(6)16)11-10(17)7(14)4(3-13)18-11/h4,7,10-11,13-14,17H,3H2,1-2H3
InChIKey
JYAQYTZUHKBRLR-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08994 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09722 151.3
[M+Na]+ 280.07916 157.8
[M-H]- 256.08266 157.0
[M+NH4]+ 275.12376 160.9
[M+K]+ 296.05310 160.8
[M+H-H2O]+ 240.08720 140.6
[M+HCOO]- 302.08814 171.0
[M+CH3COO]- 316.10379 198.4
[M+Na-2H]- 278.06461 150.9
[M]+ 257.08939 162.9
[M]- 257.09049 162.9
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.