CID 10997842

388095-22-5

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CC1(CCOCC2=CC=CC=C2)N

InChI

InChI=1S/C12H17NO/c13-12(6-7-12)8-9-14-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2

InChIKey

LIHZSLPGGSIALW-UHFFFAOYSA-N

Compound name

1-(2-phenylmethoxyethyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 191.13101 Da
Monoisotopic Mass: 1.4
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]+	192.13829	145.0
[M+Na]+	214.12023	158.2
[M+NH4]+	209.16483	155.9
[M+K]+	230.09417	150.6
[M-H]-	190.12373	156.1
[M+Na-2H]-	212.10568	156.8
[M]+	191.13046	151.3
[M]-	191.13156	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe