CID 67174

Diphenolic acid

Structural Information

Molecular Formula
C17H18O4
SMILES
CC(CCC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)
InChIKey
VKOUCJUTMGHNOR-UHFFFAOYSA-N
Compound name
4,4-bis(4-hydroxyphenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

14760
Patents

286.1205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.9
[M+Na]+ 309.10972 171.8
[M-H]- 285.11322 168.6
[M+NH4]+ 304.15432 179.3
[M+K]+ 325.08366 167.5
[M+H-H2O]+ 269.11776 159.2
[M+HCOO]- 331.11870 183.1
[M+CH3COO]- 345.13435 194.7
[M+Na-2H]- 307.09517 169.3
[M]+ 286.11995 165.2
[M]- 286.12105 165.2
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

No patent data available for this compound.