CID 2965219

1h-indole-3-ethanamine, 6-methoxy-alpha-methyl-, hydrochloride (1

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(CC1=CNC2=C1C=CC(=C2)OC)N
InChI
InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3
InChIKey
CMYKARMYSPCRCF-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1H-indol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

204.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 145.4
[M+Na]+ 227.115488 154.2
[M-H]- 203.118994 147.4
[M+NH4]+ 222.160093 165.3
[M+K]+ 243.089428 150.3
[M+H-H2O]+ 187.123530 139.0
[M+HCOO]- 249.124471 167.9
[M+CH3COO]- 263.140121 186.9
[M+Na-2H]- 225.100936 149.9
[M]+ 204.12572142 145.9
[M]- 204.12681858 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.