CID 73819207

Verimol d

Structural Information

Molecular Formula
C18H22O4
SMILES
CC(C(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)O)O
InChI
InChI=1S/C18H22O4/c1-12(19)17(13-4-8-15(21-2)9-5-13)18(20)14-6-10-16(22-3)11-7-14/h4-12,17-20H,1-3H3
InChIKey
KKTBJMXEKPXZHK-UHFFFAOYSA-N
Compound name
1,2-bis(4-methoxyphenyl)butane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15908 171.5
[M+Na]+ 325.14102 176.1
[M-H]- 301.14452 175.3
[M+NH4]+ 320.18562 184.8
[M+K]+ 341.11496 173.7
[M+H-H2O]+ 285.14906 163.9
[M+HCOO]- 347.15000 189.3
[M+CH3COO]- 361.16565 202.2
[M+Na-2H]- 323.12647 171.5
[M]+ 302.15125 172.9
[M]- 302.15235 172.9
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.