CID 3046361

N-cyclopropylmescaline hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

COC1=CC(=CC(=C1OC)OC)CCNCC2CC2

InChI

InChI=1S/C15H23NO3/c1-17-13-8-12(6-7-16-10-11-4-5-11)9-14(18-2)15(13)19-3/h8-9,11,16H,4-7,10H2,1-3H3

InChIKey

DFDALGJXCBUKHT-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-2-(3,4,5-trimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 265.1678 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]+	266.175076	159.8
[M+Na]+	288.157018	168.3
[M-H]-	264.160524	167.4
[M+NH4]+	283.201623	172.1
[M+K]+	304.130958	165.1
[M+H-H2O]+	248.165060	152.4
[M+HCOO]-	310.166001	184.4
[M+CH3COO]-	324.181651	204.6
[M+Na-2H]-	286.142466	163.8
[M]+	265.16725142	167.7
[M]-	265.16834858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe