CID 28064583

1-[1-(phenoxymethyl)cyclopropyl]methanamine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CC1(CN)COC2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c12-8-11(6-7-11)9-13-10-4-2-1-3-5-10/h1-5H,6-9,12H2

InChIKey

PQUPHTVFWGNPPG-UHFFFAOYSA-N

Compound name

[1-(phenoxymethyl)cyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.11537 Da
Monoisotopic Mass: 1.6
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	141.1
[M+Na]+	200.10459	154.5
[M+NH4]+	195.14919	152.2
[M+K]+	216.07853	147.1
[M-H]-	176.10809	152.3
[M+Na-2H]-	198.09004	153.1
[M]+	177.11482	147.4
[M]-	177.11592	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe