CID 4064341

93878-05-8

Structural Information

Molecular Formula
C18H18O4
SMILES
C1=CC(=CC=C1CCC2=CC=C(C=C2)CC(=O)O)CC(=O)O
InChI
InChI=1S/C18H18O4/c19-17(20)11-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12-18(21)22/h3-10H,1-2,11-12H2,(H,19,20)(H,21,22)
InChIKey
AVKKQLQNLSEZBE-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(carboxymethyl)phenyl]ethyl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

298.1205 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 170.2
[M+Na]+ 321.10972 182.4
[M+NH4]+ 316.15432 176.3
[M+K]+ 337.08366 176.3
[M-H]- 297.11322 172.3
[M+Na-2H]- 319.09517 176.5
[M]+ 298.11995 172.3
[M]- 298.12105 172.3
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