CID 3807662

186667-13-0

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC(=O)NCC(C1=CNC2=CC=CC=C21)O
InChI
InChI=1S/C12H14N2O2/c1-8(15)13-7-12(16)10-6-14-11-5-3-2-4-9(10)11/h2-6,12,14,16H,7H2,1H3,(H,13,15)
InChIKey
RPKCNFKRDJNOSS-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-2-(1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 148.1
[M+Na]+ 241.09475 158.4
[M+NH4]+ 236.13935 155.2
[M+K]+ 257.06869 155.3
[M-H]- 217.09825 148.5
[M+Na-2H]- 239.08020 152.6
[M]+ 218.10498 149.3
[M]- 218.10608 149.3
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.