CID 51059983

(4-((4-(allyloxy)benzyl)oxy)phenyl)acetic acid

Structural Information

Molecular Formula
C18H18O4
SMILES
C=CCOC1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C18H18O4/c1-2-11-21-16-9-5-15(6-10-16)13-22-17-7-3-14(4-8-17)12-18(19)20/h2-10H,1,11-13H2,(H,19,20)
InChIKey
MQMBQWSXTPGZPU-UHFFFAOYSA-N
Compound name
2-[4-[(4-prop-2-enoxyphenyl)methoxy]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.127776 168.9
[M+Na]+ 321.109718 175.1
[M-H]- 297.113224 173.9
[M+NH4]+ 316.154323 183.0
[M+K]+ 337.083658 171.1
[M+H-H2O]+ 281.117760 160.8
[M+HCOO]- 343.118701 190.6
[M+CH3COO]- 357.134351 201.2
[M+Na-2H]- 319.095166 171.7
[M]+ 298.11995142 171.9
[M]- 298.12104858 171.9
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.