CID 3054953

71823-65-9

Structural Information

Molecular Formula
C17H22O2
SMILES
C1CCC(CC1)C2CCC3=C2C=CC(=C3)CC(=O)O
InChI
InChI=1S/C17H22O2/c18-17(19)11-12-6-8-16-14(10-12)7-9-15(16)13-4-2-1-3-5-13/h6,8,10,13,15H,1-5,7,9,11H2,(H,18,19)
InChIKey
XTBLPGDLWKPXCN-UHFFFAOYSA-N
Compound name
2-(1-cyclohexyl-2,3-dihydro-1H-inden-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.162 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 162.0
[M+Na]+ 281.15122 165.8
[M-H]- 257.15472 167.0
[M+NH4]+ 276.19582 180.5
[M+K]+ 297.12516 161.4
[M+H-H2O]+ 241.15926 155.4
[M+HCOO]- 303.16020 178.2
[M+CH3COO]- 317.17585 193.8
[M+Na-2H]- 279.13667 161.8
[M]+ 258.16145 156.3
[M]- 258.16255 156.3
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

No patent data available for this compound.