CID 94057

58452-00-9

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=C(C=C(C=C1)C(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H14O4/c1-18-13-8-7-12(15(16)17)9-14(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKey
YPDXIGBSOBESNI-UHFFFAOYSA-N
Compound name
4-methoxy-3-phenylmethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

171
Patents

258.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.2
[M+Na]+ 281.07842 163.5
[M-H]- 257.08192 161.9
[M+NH4]+ 276.12302 172.1
[M+K]+ 297.05236 160.8
[M+H-H2O]+ 241.08646 148.7
[M+HCOO]- 303.08740 178.8
[M+CH3COO]- 317.10305 193.0
[M+Na-2H]- 279.06387 160.7
[M]+ 258.08865 159.0
[M]- 258.08975 159.0
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