CID 37089

Alpha-(methoxycarbonyl)-n,n,n-trimethyl-1h-indole-3-ethanaminium iodide

Structural Information

Molecular Formula
C15H21N2O2
SMILES
C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)OC
InChI
InChI=1S/C15H21N2O2/c1-17(2,3)14(15(18)19-4)9-11-10-16-13-8-6-5-7-12(11)13/h5-8,10,14,16H,9H2,1-4H3/q+1
InChIKey
UQBWDTIESGCUSG-UHFFFAOYSA-N
Compound name
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1603 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16758 157.6
[M+Na]+ 284.14952 170.4
[M+NH4]+ 279.19412 166.1
[M+K]+ 300.12346 167.5
[M-H]- 260.15302 160.3
[M+Na-2H]- 282.13497 163.9
[M]+ 261.15975 160.5
[M]- 261.16085 160.5
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.