CID 17803196

3',4'-dihydro-2'h-spiro[cyclopropane-1,1'-naphthalen]-2'-amine

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1CC2=CC=CC=C2C3(C1N)CC3

InChI

InChI=1S/C12H15N/c13-11-6-5-9-3-1-2-4-10(9)12(11)7-8-12/h1-4,11H,5-8,13H2

InChIKey

RPTQBQUTJSQODC-UHFFFAOYSA-N

Compound name

spiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.12045 Da
Monoisotopic Mass: 2.0
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]+	174.127726	136.6
[M+Na]+	196.109668	145.8
[M-H]-	172.113174	143.5
[M+NH4]+	191.154273	155.0
[M+K]+	212.083608	142.4
[M+H-H2O]+	156.117710	130.9
[M+HCOO]-	218.118651	157.7
[M+CH3COO]-	232.134301	149.6
[M+Na-2H]-	194.095116	145.0
[M]+	173.11990142	134.6
[M]-	173.12099858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe