CID 28236

17061-21-1

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

COC1=CC(=CC(=C1OC)OC)C2CC2N

InChI

InChI=1S/C12H17NO3/c1-14-10-4-7(8-6-9(8)13)5-11(15-2)12(10)16-3/h4-5,8-9H,6,13H2,1-3H3

InChIKey

HNYWYOQSLRJIMG-UHFFFAOYSA-N

Compound name

2-(3,4,5-trimethoxyphenyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.12085 Da
Monoisotopic Mass: 1.1
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]+	224.12813	146.8
[M+Na]+	246.11007	157.5
[M-H]-	222.11357	154.8
[M+NH4]+	241.15467	160.8
[M+K]+	262.08401	154.5
[M+H-H2O]+	206.11811	140.3
[M+HCOO]-	268.11905	171.7
[M+CH3COO]-	282.13470	196.6
[M+Na-2H]-	244.09552	150.6
[M]+	223.12030	153.1
[M]-	223.12140	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.