CID 14086930

4-methoxyphenylacetic anhydride

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC=C(C=C1)CC(=O)OC(=O)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H18O5/c1-21-15-7-3-13(4-8-15)11-17(19)23-18(20)12-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey
KYCAEIXHUXBNTQ-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)acetyl] 2-(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

314.11542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 172.0
[M+Na]+ 337.10464 184.9
[M+NH4]+ 332.14924 178.3
[M+K]+ 353.07858 178.7
[M-H]- 313.10814 174.7
[M+Na-2H]- 335.09009 179.1
[M]+ 314.11487 174.5
[M]- 314.11597 174.5
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

patents stripe