CID 24259131

1439903-03-3

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=CC(=C1)CC2(CC2)N

InChI

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

InChIKey

HAEZVLULMRQNKV-UHFFFAOYSA-N

Compound name

1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	140.2
[M+Na]+	200.10459	154.0
[M+NH4]+	195.14919	151.3
[M+K]+	216.07853	146.8
[M-H]-	176.10809	151.5
[M+Na-2H]-	198.09004	152.1
[M]+	177.11482	146.7
[M]-	177.11592	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe