CID 65409319

2-benzyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C18H18O2
SMILES
C1CC(CC2=CC=CC=C21)(CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H18O2/c19-17(20)18(12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)13-18/h1-9H,10-13H2,(H,19,20)
InChIKey
REQZPLHBURPSJX-UHFFFAOYSA-N
Compound name
2-benzyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13068 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 163.2
[M+Na]+ 289.11990 177.3
[M+NH4]+ 284.16450 174.0
[M+K]+ 305.09384 166.9
[M-H]- 265.12340 168.2
[M+Na-2H]- 287.10535 172.9
[M]+ 266.13013 166.9
[M]- 266.13123 166.9
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.