CID 3078704

Brn 3621945

Structural Information

Molecular Formula
C17H20O4
SMILES
CC(C(C1=CC=CC=C1OC)(C2=CC=CC=C2OC)O)O
InChI
InChI=1S/C17H20O4/c1-12(18)17(19,13-8-4-6-10-15(13)20-2)14-9-5-7-11-16(14)21-3/h4-12,18-19H,1-3H3
InChIKey
ICHXPQLRGLLPPL-UHFFFAOYSA-N
Compound name
1,1-bis(2-methoxyphenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.13617 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 166.8
[M+Na]+ 311.12539 172.8
[M-H]- 287.12889 170.9
[M+NH4]+ 306.16999 180.9
[M+K]+ 327.09933 170.0
[M+H-H2O]+ 271.13343 159.7
[M+HCOO]- 333.13437 185.3
[M+CH3COO]- 347.15002 197.8
[M+Na-2H]- 309.11084 170.6
[M]+ 288.13562 168.6
[M]- 288.13672 168.6
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

No patent data available for this compound.