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]+ 299.12778 168.9
[M+Na]+ 321.10972 175.1
[M-H]- 297.11322 173.9
[M+NH4]+ 316.15432 183.0
[M+K]+ 337.08366 171.1
[M+H-H2O]+ 281.11776 160.8
[M+HCOO]- 343.11870 190.6
[M+CH3COO]- 357.13435 201.2
[M+Na-2H]- 319.09517 171.7
[M]+ 298.11995 171.9
[M]- 298.12105 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.