CID 3046359

N-propylmescaline hydrochloride

Structural Information

Molecular Formula
C14H23NO3
SMILES
CCCNCCC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H23NO3/c1-5-7-15-8-6-11-9-12(16-2)14(18-4)13(10-11)17-3/h9-10,15H,5-8H2,1-4H3
InChIKey
KNGUSWJQDIVIQN-UHFFFAOYSA-N
Compound name
N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 159.3
[M+Na]+ 276.157018 166.3
[M-H]- 252.160524 162.9
[M+NH4]+ 271.201623 176.9
[M+K]+ 292.130958 164.8
[M+H-H2O]+ 236.165060 152.4
[M+HCOO]- 298.166001 183.9
[M+CH3COO]- 312.181651 200.9
[M+Na-2H]- 274.142466 163.0
[M]+ 253.16725142 165.8
[M]- 253.16834858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.