CID 12347952

64360-44-7

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1=C(C=CC(=C1)CC(=O)O)OCC2=CC(=C(C=C2)OC)C
InChI
InChI=1S/C18H20O4/c1-12-9-15(5-6-16(12)21-3)11-22-17-7-4-14(8-13(17)2)10-18(19)20/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKey
WAKVSEYYGRGBTI-UHFFFAOYSA-N
Compound name
2-[4-[(4-methoxy-3-methylphenyl)methoxy]-3-methylphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.1
[M+Na]+ 323.12539 176.9
[M-H]- 299.12889 175.0
[M+NH4]+ 318.16999 183.9
[M+K]+ 339.09933 173.7
[M+H-H2O]+ 283.13343 161.4
[M+HCOO]- 345.13437 190.6
[M+CH3COO]- 359.15002 204.5
[M+Na-2H]- 321.11084 170.6
[M]+ 300.13562 173.8
[M]- 300.13672 173.8
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

No patent data available for this compound.