CID 10751317

5-propoxytryptamine

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCCOC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C13H18N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5-7,14H2,1H3
InChIKey
SXHSCDTUUHPMSY-UHFFFAOYSA-N
Compound name
2-(5-propoxy-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

218.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.1
[M+Na]+ 241.13112 157.7
[M-H]- 217.13462 150.8
[M+NH4]+ 236.17572 168.5
[M+K]+ 257.10506 153.1
[M+H-H2O]+ 201.13916 142.4
[M+HCOO]- 263.14010 172.3
[M+CH3COO]- 277.15575 189.1
[M+Na-2H]- 239.11657 154.4
[M]+ 218.14135 150.6
[M]- 218.14245 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