CID 21786582

4-ho-met

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCN(C)CCC1=CNC2=C1C(=CC=C2)O
InChI
InChI=1S/C13H18N2O/c1-3-15(2)8-7-10-9-14-11-5-4-6-12(16)13(10)11/h4-6,9,14,16H,3,7-8H2,1-2H3
InChIKey
ORWQBKPSGDRPPA-UHFFFAOYSA-N
Compound name
3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4125
Patents

218.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 149.6
[M+Na]+ 241.131118 157.9
[M-H]- 217.134624 151.9
[M+NH4]+ 236.175723 169.1
[M+K]+ 257.105058 154.1
[M+H-H2O]+ 201.139160 143.0
[M+HCOO]- 263.140101 172.4
[M+CH3COO]- 277.155751 190.5
[M+Na-2H]- 239.116566 154.6
[M]+ 218.14135142 151.4
[M]- 218.14244858 151.4
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