CID 21668703

(s)-verimol f

Structural Information

Molecular Formula
C17H20O3
SMILES
CC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C17H20O3/c1-12(18)17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3
InChIKey
NHUSVJTYMHDUAP-UHFFFAOYSA-N
Compound name
1,1-bis(4-methoxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.14124 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.148516 163.7
[M+Na]+ 295.130458 169.6
[M-H]- 271.133964 169.0
[M+NH4]+ 290.175063 179.1
[M+K]+ 311.104398 167.0
[M+H-H2O]+ 255.138500 156.1
[M+HCOO]- 317.139441 184.2
[M+CH3COO]- 331.155091 198.6
[M+Na-2H]- 293.115906 165.8
[M]+ 272.14069142 165.8
[M]- 272.14178858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe