CID 45360336

Verimol a

Structural Information

Molecular Formula
C18H20O5
SMILES
CC(C(C1=CC=C(C=C1)OC)O)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H20O5/c1-12(17(19)13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3
InChIKey
MHJLKHNHGMUAPQ-UHFFFAOYSA-N
Compound name
[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13107 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 172.9
[M+Na]+ 339.12029 184.8
[M+NH4]+ 334.16489 179.0
[M+K]+ 355.09423 179.9
[M-H]- 315.12379 175.1
[M+Na-2H]- 337.10574 179.2
[M]+ 316.13052 175.1
[M]- 316.13162 175.1
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

No patent data available for this compound.