CID 21186858

P-papa-glc

Structural Information

Molecular Formula
C13H17NO7
SMILES
C1=CC(=CC=C1C(=O)OC2C(C(C(C(O2)CO)O)O)O)N
InChI
InChI=1S/C13H17NO7/c14-7-3-1-6(2-4-7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2
InChIKey
DZWLQKNUQNGEPR-UHFFFAOYSA-N
Compound name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

299.1005 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.107776 165.7
[M+Na]+ 322.089718 170.9
[M-H]- 298.093224 167.5
[M+NH4]+ 317.134323 176.2
[M+K]+ 338.063658 169.6
[M+H-H2O]+ 282.097760 158.7
[M+HCOO]- 344.098701 179.9
[M+CH3COO]- 358.114351 197.1
[M+Na-2H]- 320.075166 165.4
[M]+ 299.09995142 162.6
[M]- 299.10104858 162.6
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.