CID 3041184

Cyclopropanamine, 2-(2,4,5-trimethoxyphenyl)-, hydrochloride, trans-

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

COC1=CC(=C(C=C1[C@@H]2C[C@H]2N)OC)OC

InChI

InChI=1S/C12H17NO3/c1-14-10-6-12(16-3)11(15-2)5-8(10)7-4-9(7)13/h5-7,9H,4,13H2,1-3H3/t7-,9+/m0/s1

InChIKey

WRUZWMMBYLENFM-IONNQARKSA-N

Compound name

trans-(1R,2S)-2-(2,4,5-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]+	224.128126	146.8
[M+Na]+	246.110068	157.5
[M-H]-	222.113574	154.8
[M+NH4]+	241.154673	160.8
[M+K]+	262.084008	154.5
[M+H-H2O]+	206.118110	140.3
[M+HCOO]-	268.119051	171.7
[M+CH3COO]-	282.134701	196.6
[M+Na-2H]-	244.095516	150.6
[M]+	223.12030142	153.1
[M]-	223.12139858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.