CID 45360335

Verimol b

Structural Information

Molecular Formula
C18H20O5
SMILES
CC(C(C1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C18H20O5/c1-12(19)17(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
PCUOEOPTDCUNQQ-UHFFFAOYSA-N
Compound name
[2-hydroxy-1-(4-methoxyphenyl)propyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

patents stripe