CID 12914859

50361-60-9

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CC2=CC=CC=C2C(C1)(CN)O

InChI

InChI=1S/C11H15NO/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,13H,3,5,7-8,12H2

InChIKey

JPSHSGBMKXSDOR-UHFFFAOYSA-N

Compound name

1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 177.11537 Da
Monoisotopic Mass: 0.7
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]+	178.12265	138.2
[M+Na]+	200.10459	144.9
[M-H]-	176.10809	140.7
[M+NH4]+	195.14919	160.2
[M+K]+	216.07853	141.4
[M+H-H2O]+	160.11263	132.9
[M+HCOO]-	222.11357	158.3
[M+CH3COO]-	236.12922	179.8
[M+Na-2H]-	198.09004	145.8
[M]+	177.11482	133.3
[M]-	177.11592	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe