CID 9855630

4018-91-1

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=CC2=C1CC[C@@H](C2)N

InChI

InChI=1S/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3/t9-/m0/s1

InChIKey

SIHPGAYIYYGOIP-VIFPVBQESA-N

Compound name

(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 412
Patents: 177.11537 Da
Monoisotopic Mass: 1.7
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	137.1
[M+Na]+	200.10459	144.0
[M-H]-	176.10809	140.9
[M+NH4]+	195.14919	158.0
[M+K]+	216.07853	141.4
[M+H-H2O]+	160.11263	131.1
[M+HCOO]-	222.11357	158.6
[M+CH3COO]-	236.12922	183.9
[M+Na-2H]-	198.09004	143.4
[M]+	177.11482	134.1
[M]-	177.11592	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe