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]+ 254.17508 159.3
[M+Na]+ 276.15702 166.3
[M-H]- 252.16052 162.9
[M+NH4]+ 271.20162 176.9
[M+K]+ 292.13096 164.8
[M+H-H2O]+ 236.16506 152.4
[M+HCOO]- 298.16600 183.9
[M+CH3COO]- 312.18165 200.9
[M+Na-2H]- 274.14247 163.0
[M]+ 253.16725 165.8
[M]- 253.16835 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.