CID 3042691

60232-11-3

Structural Information

Molecular Formula
C18H18O2
SMILES
CC(C1=CC2=C(CC(C2)C3=CC=CC=C3)C=C1)C(=O)O
InChI
InChI=1S/C18H18O2/c1-12(18(19)20)14-7-8-15-10-16(11-17(15)9-14)13-5-3-2-4-6-13/h2-9,12,16H,10-11H2,1H3,(H,19,20)
InChIKey
DWNUMPHHRWTUML-UHFFFAOYSA-N
Compound name
2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 162.5
[M+Na]+ 289.11990 175.2
[M+NH4]+ 284.16450 171.5
[M+K]+ 305.09384 169.8
[M-H]- 265.12340 166.5
[M+Na-2H]- 287.10535 169.1
[M]+ 266.13013 165.4
[M]- 266.13123 165.4
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.