CID 25653

Beta-tetralylacetic acid amide

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CCC2=C(C1)C=CC(=C2)CC(=O)N

InChI

InChI=1S/C12H15NO/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8H2,(H2,13,14)

InChIKey

ZREILWXKMMORGE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	190.12265	141.0
[M+Na]+	212.10459	146.6
[M-H]-	188.10809	144.4
[M+NH4]+	207.14919	161.0
[M+K]+	228.07853	143.5
[M+H-H2O]+	172.11263	134.8
[M+HCOO]-	234.11357	161.4
[M+CH3COO]-	248.12922	185.8
[M+Na-2H]-	210.09004	146.3
[M]+	189.11482	136.6
[M]-	189.11592	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe