CID 17371

6-fluoro-n,n-diethyltryptamine

Structural Information

Molecular Formula
C14H19FN2
SMILES
CCN(CC)CCC1=CNC2=C1C=CC(=C2)F
InChI
InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-9-12(15)5-6-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKey
RPWUTEXLVPDNEA-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

234.15323 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16051 153.4
[M+Na]+ 257.14245 161.8
[M-H]- 233.14595 155.5
[M+NH4]+ 252.18705 173.0
[M+K]+ 273.11639 157.6
[M+H-H2O]+ 217.15049 145.4
[M+HCOO]- 279.15143 176.1
[M+CH3COO]- 293.16708 196.8
[M+Na-2H]- 255.12790 157.7
[M]+ 234.15268 154.9
[M]- 234.15378 154.9
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