CID 1201503

3082-62-0

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

C[C@@H](C1=CC2=CC=CC=C2C=C1)N

InChI

InChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3/t9-/m0/s1

InChIKey

KHSYYLCXQKCYQX-VIFPVBQESA-N

Compound name

(1S)-1-naphthalen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2015
Patents: 171.1048 Da
Monoisotopic Mass: 2.8
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]+	172.11208	136.0
[M+Na]+	194.09402	143.5
[M-H]-	170.09752	140.2
[M+NH4]+	189.13862	157.1
[M+K]+	210.06796	140.1
[M+H-H2O]+	154.10206	130.1
[M+HCOO]-	216.10300	159.0
[M+CH3COO]-	230.11865	183.9
[M+Na-2H]-	192.07947	143.4
[M]+	171.10425	133.8
[M]-	171.10535	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe