CID 34863

Indole, 3-(dimethylaminoacetyl)-

Structural Information

Molecular Formula
C12H14N2O
SMILES
CN(C)CC(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H14N2O/c1-14(2)8-12(15)10-7-13-11-6-4-3-5-9(10)11/h3-7,13H,8H2,1-2H3
InChIKey
HEQAZZLMFKEHFY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

3
Patents

202.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.1
[M+Na]+ 225.09983 152.4
[M-H]- 201.10333 147.8
[M+NH4]+ 220.14443 164.6
[M+K]+ 241.07377 149.6
[M+H-H2O]+ 185.10787 137.4
[M+HCOO]- 247.10881 168.0
[M+CH3COO]- 261.12446 188.9
[M+Na-2H]- 223.08528 149.7
[M]+ 202.11006 145.8
[M]- 202.11116 145.8
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