CID 22261417

444913-37-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

COC(=O)C1=C2CCCCC2=C(C=C1)N

InChI

InChI=1S/C12H15NO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h6-7H,2-5,13H2,1H3

InChIKey

IAKNPTDHQDQDTF-UHFFFAOYSA-N

Compound name

methyl 4-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 205.11028 Da
Monoisotopic Mass: 2.5
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]+	206.11756	144.5
[M+Na]+	228.09950	156.0
[M+NH4]+	223.14410	153.3
[M+K]+	244.07344	149.8
[M-H]-	204.10300	147.4
[M+Na-2H]-	226.08495	149.7
[M]+	205.10973	146.7
[M]-	205.11083	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe