CID 5316905

2-(1h-indol-3-yl)-n,n-dimethylethanamine oxide

Structural Information

Molecular Formula
C12H16N2O
SMILES
C[N+](C)(CCC1=CNC2=CC=CC=C21)[O-]
InChI
InChI=1S/C12H16N2O/c1-14(2,15)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey
FSRSWKRQDYWUFG-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

204.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 143.0
[M+Na]+ 227.11549 151.1
[M-H]- 203.11899 145.4
[M+NH4]+ 222.16009 162.9
[M+K]+ 243.08943 142.8
[M+H-H2O]+ 187.12353 141.9
[M+HCOO]- 249.12447 166.0
[M+CH3COO]- 263.14012 178.6
[M+Na-2H]- 225.10094 153.6
[M]+ 204.12572 141.9
[M]- 204.12682 141.9
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