CID 131751186

Moringyne

Structural Information

Molecular Formula
C15H20O7
SMILES
CC1=C(C(=CC=C1)C)C(=O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C15H20O7/c1-7-4-3-5-8(2)10(7)14(20)22-15-13(19)12(18)11(17)9(6-16)21-15/h3-5,9,11-13,15-19H,6H2,1-2H3
InChIKey
QQHRYSLWMCEKRX-UHFFFAOYSA-N
Compound name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1209 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12818 169.7
[M+Na]+ 335.11012 175.8
[M-H]- 311.11362 172.1
[M+NH4]+ 330.15472 180.7
[M+K]+ 351.08406 174.6
[M+H-H2O]+ 295.11816 163.2
[M+HCOO]- 357.11910 182.8
[M+CH3COO]- 371.13475 199.2
[M+Na-2H]- 333.09557 168.4
[M]+ 312.12035 169.4
[M]- 312.12145 169.4
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.