CID 903

N-acetylserotonin

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKey
MVAWJSIDNICKHF-UHFFFAOYSA-N
Compound name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

487
References

2314
Patents

218.10553 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 147.3
[M+Na]+ 241.09475 155.9
[M-H]- 217.09825 148.6
[M+NH4]+ 236.13935 166.1
[M+K]+ 257.06869 151.5
[M+H-H2O]+ 201.10279 141.1
[M+HCOO]- 263.10373 169.4
[M+CH3COO]- 277.11938 185.7
[M+Na-2H]- 239.08020 152.5
[M]+ 218.10498 147.6
[M]- 218.10608 147.6
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

patents stripe