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]+ 267.137956 162.6
[M+Na]+ 289.119898 168.8
[M-H]- 265.123404 168.8
[M+NH4]+ 284.164503 180.9
[M+K]+ 305.093838 164.2
[M+H-H2O]+ 249.127940 156.0
[M+HCOO]- 311.128881 181.9
[M+CH3COO]- 325.144531 196.6
[M+Na-2H]- 287.105346 163.7
[M]+ 266.13013142 161.0
[M]- 266.13122858 161.0
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.