CID 270567

Benzoic acid 2,6-dimethoxy-phenyl ester

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=C(C(=CC=C1)OC)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O4/c1-17-12-9-6-10-13(18-2)14(12)19-15(16)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKey
SVMPWMYCQQADHO-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

258.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.0
[M+Na]+ 281.07842 163.8
[M-H]- 257.08192 163.1
[M+NH4]+ 276.12302 172.7
[M+K]+ 297.05236 162.1
[M+H-H2O]+ 241.08646 148.3
[M+HCOO]- 303.08740 180.2
[M+CH3COO]- 317.10305 194.9
[M+Na-2H]- 279.06387 161.0
[M]+ 258.08865 160.6
[M]- 258.08975 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe