CID 11817710

59960-32-6

Structural Information

Molecular Formula
C16H16O3
SMILES
CC(C1=CC(=CC=C1)C(C2=CC=CC=C2)O)C(=O)O
InChI
InChI=1S/C16H16O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11,15,17H,1H3,(H,18,19)
InChIKey
KBVIDAVUDXDUPS-UHFFFAOYSA-N
Compound name
2-[3-[hydroxy(phenyl)methyl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

14
Patents

256.10995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 159.1
[M+Na]+ 279.09917 171.5
[M+NH4]+ 274.14377 166.4
[M+K]+ 295.07311 166.0
[M-H]- 255.10267 161.8
[M+Na-2H]- 277.08462 166.4
[M]+ 256.10940 161.5
[M]- 256.11050 161.5
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