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 159.1
[M+Na]+ 275.10426 166.3
[M-H]- 251.10776 165.4
[M+NH4]+ 270.14886 179.9
[M+K]+ 291.07820 161.4
[M+H-H2O]+ 235.11230 152.6
[M+HCOO]- 297.11324 179.8
[M+CH3COO]- 311.12889 171.2
[M+Na-2H]- 273.08971 163.5
[M]+ 252.11449 157.7
[M]- 252.11559 157.7
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