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]+ 267.137956 162.9
[M+Na]+ 289.119898 168.5
[M-H]- 265.123404 168.4
[M+NH4]+ 284.164503 181.0
[M+K]+ 305.093838 163.7
[M+H-H2O]+ 249.127940 155.3
[M+HCOO]- 311.128881 180.9
[M+CH3COO]- 325.144531 173.7
[M+Na-2H]- 287.105346 168.4
[M]+ 266.13013142 159.5
[M]- 266.13122858 159.5
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.