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 147.9
[M+Na]+ 241.09475 155.2
[M-H]- 217.09825 148.8
[M+NH4]+ 236.13935 166.2
[M+K]+ 257.06869 151.3
[M+H-H2O]+ 201.10279 141.5
[M+HCOO]- 263.10373 168.9
[M+CH3COO]- 277.11938 185.4
[M+Na-2H]- 239.08020 152.6
[M]+ 218.10498 147.1
[M]- 218.10608 147.1
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

No patent data available for this compound.