CID 65407003

1-benzyl-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C17H16O2
SMILES
C1CC(C2=CC=CC=C21)(CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H16O2/c18-16(19)17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2,(H,18,19)
InChIKey
DVUFWAJSVZUQTP-UHFFFAOYSA-N
Compound name
1-benzyl-2,3-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

252.11504 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 158.9
[M+Na]+ 275.10426 172.1
[M+NH4]+ 270.14886 169.7
[M+K]+ 291.07820 164.1
[M-H]- 251.10776 163.1
[M+Na-2H]- 273.08971 167.8
[M]+ 252.11449 162.2
[M]- 252.11559 162.2
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

patents stripe