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]+ 303.159076 171.5
[M+Na]+ 325.141018 176.1
[M-H]- 301.144524 175.3
[M+NH4]+ 320.185623 184.8
[M+K]+ 341.114958 173.7
[M+H-H2O]+ 285.149060 163.9
[M+HCOO]- 347.150001 189.3
[M+CH3COO]- 361.165651 202.2
[M+Na-2H]- 323.126466 171.5
[M]+ 302.15125142 172.9
[M]- 302.15234858 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.