CID 12347952

(4-((4-methoxy-3-methylbenzyl)oxy)-3-methylphenyl)acetic acid

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]+ 301.143446 169.1
[M+Na]+ 323.125388 176.9
[M-H]- 299.128894 175.0
[M+NH4]+ 318.169993 183.9
[M+K]+ 339.099328 173.7
[M+H-H2O]+ 283.133430 161.4
[M+HCOO]- 345.134371 190.6
[M+CH3COO]- 359.150021 204.5
[M+Na-2H]- 321.110836 170.6
[M]+ 300.13562142 173.8
[M]- 300.13671858 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.