CID 482833

1-[1-(2-hydroxyethoxymethyl)indol-3-yl]ethanone

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC(=O)C1=CN(C2=CC=CC=C21)COCCO
InChI
InChI=1S/C13H15NO3/c1-10(16)12-8-14(9-17-7-6-15)13-5-3-2-4-11(12)13/h2-5,8,15H,6-7,9H2,1H3
InChIKey
SVUGTJVGENTICY-UHFFFAOYSA-N
Compound name
1-[1-(2-hydroxyethoxymethyl)indol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.9
[M+Na]+ 256.09442 160.1
[M-H]- 232.09792 153.3
[M+NH4]+ 251.13902 169.9
[M+K]+ 272.06836 157.0
[M+H-H2O]+ 216.10246 144.4
[M+HCOO]- 278.10340 173.2
[M+CH3COO]- 292.11905 188.9
[M+Na-2H]- 254.07987 155.5
[M]+ 233.10465 155.6
[M]- 233.10575 155.6
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.