CID 33930

27536-05-6

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CC(=O)NC1=CC=CC2=C1CCN(C2)C

InChI

InChI=1S/C12H16N2O/c1-9(15)13-12-5-3-4-10-8-14(2)7-6-11(10)12/h3-5H,6-8H2,1-2H3,(H,13,15)

InChIKey

QBSCJGYBESVOAA-UHFFFAOYSA-N

Compound name

N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 204.12627 Da
Monoisotopic Mass: 1.0
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]+	205.13355	145.4
[M+Na]+	227.11549	152.0
[M-H]-	203.11899	148.2
[M+NH4]+	222.16009	164.1
[M+K]+	243.08943	149.2
[M+H-H2O]+	187.12353	138.4
[M+HCOO]-	249.12447	165.1
[M+CH3COO]-	263.14012	189.6
[M+Na-2H]-	225.10094	151.1
[M]+	204.12572	142.9
[M]-	204.12682	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe