CID 12314351

Pisatoside

Structural Information

Molecular Formula
C10H15NO7
SMILES
C1=CNC(=O)C1OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C10H15NO7/c12-3-5-6(13)7(14)8(15)10(18-5)17-4-1-2-11-9(4)16/h1-2,4-8,10,12-15H,3H2,(H,11,16)
InChIKey
FHWQHJHJIXDREE-UHFFFAOYSA-N
Compound name
3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-dihydropyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

261.08484 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09212 154.6
[M+Na]+ 284.07406 160.5
[M-H]- 260.07756 154.2
[M+NH4]+ 279.11866 167.1
[M+K]+ 300.04800 158.6
[M+H-H2O]+ 244.08210 148.9
[M+HCOO]- 306.08304 166.9
[M+CH3COO]- 320.09869 183.3
[M+Na-2H]- 282.05951 154.1
[M]+ 261.08429 150.8
[M]- 261.08539 150.8
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

patents stripe