CID 73981563

Cryptamygin b

Structural Information

Molecular Formula
C15H20O8
SMILES
C1=CC=C(C(=C1)CCC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C15H20O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-4,10,12-16,19-21H,5-7H2,(H,17,18)
InChIKey
FXEOLMWSBWXMSF-UHFFFAOYSA-N
Compound name
3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.1158 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12308 172.1
[M+Na]+ 351.10502 176.5
[M-H]- 327.10852 172.6
[M+NH4]+ 346.14962 181.1
[M+K]+ 367.07896 175.1
[M+H-H2O]+ 311.11306 165.1
[M+HCOO]- 373.11400 183.9
[M+CH3COO]- 387.12965 198.9
[M+Na-2H]- 349.09047 171.2
[M]+ 328.11525 171.1
[M]- 328.11635 171.1
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