CID 54308

3-(tert-butylamino)acetylindole hydrochloride hydrate

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC(C)(C)NCC(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H18N2O/c1-14(2,3)16-9-13(17)11-8-15-12-7-5-4-6-10(11)12/h4-8,15-16H,9H2,1-3H3
InChIKey
USQHTJSTTGAPHW-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.4
[M+Na]+ 253.13112 164.4
[M+NH4]+ 248.17572 160.9
[M+K]+ 269.10506 160.3
[M-H]- 229.13462 154.4
[M+Na-2H]- 251.11657 158.7
[M]+ 230.14135 155.1
[M]- 230.14245 155.1
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

No patent data available for this compound.