CID 25652

Alpha-tetralylacetic acid amide

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CCC2=C(C1)C=CC=C2CC(=O)N

InChI

InChI=1S/C12H15NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6H,1-2,4,7-8H2,(H2,13,14)

InChIKey

HOXDVJHMSBALCX-UHFFFAOYSA-N

Compound name

2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 189.11537 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.122646	141.0
[M+Na]+	212.104588	146.6
[M-H]-	188.108094	144.4
[M+NH4]+	207.149193	161.0
[M+K]+	228.078528	143.5
[M+H-H2O]+	172.112630	134.8
[M+HCOO]-	234.113571	161.4
[M+CH3COO]-	248.129221	185.8
[M+Na-2H]-	210.090036	146.3
[M]+	189.11482142	136.6
[M]-	189.11591858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe