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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.092116	154.6
[M+Na]+	284.074058	160.5
[M-H]-	260.077564	154.2
[M+NH4]+	279.118663	167.1
[M+K]+	300.047998	158.6
[M+H-H2O]+	244.082100	148.9
[M+HCOO]-	306.083041	166.9
[M+CH3COO]-	320.098691	183.3
[M+Na-2H]-	282.059506	154.1
[M]+	261.08429142	150.8
[M]-	261.08538858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe