CID 907440

5,6-dimethoxy-1h-indole-3-ethylamine

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC1=C(C=C2C(=C1)C(=CN2)CCN)OC
InChI
InChI=1S/C12H16N2O2/c1-15-11-5-9-8(3-4-13)7-14-10(9)6-12(11)16-2/h5-7,14H,3-4,13H2,1-2H3
InChIKey
RUBWDHXESZEALO-UHFFFAOYSA-N
Compound name
2-(5,6-dimethoxy-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

220.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 147.7
[M+Na]+ 243.110408 157.5
[M-H]- 219.113914 150.0
[M+NH4]+ 238.155013 167.2
[M+K]+ 259.084348 153.7
[M+H-H2O]+ 203.118450 141.3
[M+HCOO]- 265.119391 171.4
[M+CH3COO]- 279.135041 189.4
[M+Na-2H]- 241.095856 152.8
[M]+ 220.12064142 150.6
[M]- 220.12173858 150.6
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