CID 51032748

Tert-butyl 3-(2-oxoethyl)-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC=O
InChI
InChI=1S/C15H17NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,9-10H,8H2,1-3H3
InChIKey
FUYFVHMYRDRJMM-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-oxoethyl)indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.128126 159.9
[M+Na]+ 282.110068 169.7
[M-H]- 258.113574 163.9
[M+NH4]+ 277.154673 179.0
[M+K]+ 298.084008 166.9
[M+H-H2O]+ 242.118110 153.8
[M+HCOO]- 304.119051 181.7
[M+CH3COO]- 318.134701 195.0
[M+Na-2H]- 280.095516 164.9
[M]+ 259.12030142 165.8
[M]- 259.12139858 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

literature stripe

Patent stripe

patents stripe