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 173.0
[M+Na]+ 339.12029 178.2
[M-H]- 315.12379 178.2
[M+NH4]+ 334.16489 186.3
[M+K]+ 355.09423 176.8
[M+H-H2O]+ 299.12833 165.0
[M+HCOO]- 361.12927 192.7
[M+CH3COO]- 375.14492 205.3
[M+Na-2H]- 337.10574 173.6
[M]+ 316.13052 176.9
[M]- 316.13162 176.9
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

No patent data available for this compound.