CID 10334054

Karalicin

Structural Information

Molecular Formula
C14H20O6
SMILES
CC(=O)OC(C(CC1=CC=C(C=C1)OC)O)C(CO)O
InChI
InChI=1S/C14H20O6/c1-9(16)20-14(13(18)8-15)12(17)7-10-3-5-11(19-2)6-4-10/h3-6,12-15,17-18H,7-8H2,1-2H3
InChIKey
JATBUOZGJQJSGA-UHFFFAOYSA-N
Compound name
[1,2,4-trihydroxy-5-(4-methoxyphenyl)pentan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

284.12598 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13326 165.1
[M+Na]+ 307.11520 168.8
[M-H]- 283.11870 164.1
[M+NH4]+ 302.15980 178.3
[M+K]+ 323.08914 168.1
[M+H-H2O]+ 267.12324 158.7
[M+HCOO]- 329.12418 180.9
[M+CH3COO]- 343.13983 194.6
[M+Na-2H]- 305.10065 163.7
[M]+ 284.12543 166.9
[M]- 284.12653 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe