CID 4721137

625437-31-2

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=CC(=C1)CNC2CC2

InChI

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

InChIKey

NUPAMNLYORQZRV-UHFFFAOYSA-N

Compound name

N-[(3-methoxyphenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 177.11537 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]+	178.12265	139.1
[M+Na]+	200.10459	152.8
[M+NH4]+	195.14919	148.9
[M+K]+	216.07853	147.1
[M-H]-	176.10809	150.3
[M+Na-2H]-	198.09004	149.9
[M]+	177.11482	145.3
[M]-	177.11592	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe