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

84
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 171.8
[M+Na]+ 337.10464 178.2
[M-H]- 313.10814 178.5
[M+NH4]+ 332.14924 186.0
[M+K]+ 353.07858 176.4
[M+H-H2O]+ 297.11268 163.4
[M+HCOO]- 359.11362 194.3
[M+CH3COO]- 373.12927 205.3
[M+Na-2H]- 335.09009 174.0
[M]+ 314.11487 177.4
[M]- 314.11597 177.4
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