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 160.4
[M+Na]+ 284.14952 167.4
[M-H]- 260.15302 164.2
[M+NH4]+ 279.19412 178.5
[M+K]+ 300.12346 159.3
[M+H-H2O]+ 244.15756 156.6
[M+HCOO]- 306.15850 181.3
[M+CH3COO]- 320.17415 192.5
[M+Na-2H]- 282.13497 167.9
[M]+ 261.15975 162.1
[M]- 261.16085 162.1
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

patents stripe