CID 12834

5-fluoro-alpha-methyltryptamine

Structural Information

Molecular Formula
C11H13FN2
SMILES
CC(CC1=CNC2=C1C=C(C=C2)F)N
InChI
InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
InChIKey
CTGFDWBZMCPVED-UHFFFAOYSA-N
Compound name
1-(5-fluoro-1H-indol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

155
Patents

192.10628 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.11356 139.9
[M+Na]+ 215.09550 149.3
[M-H]- 191.09900 140.7
[M+NH4]+ 210.14010 160.3
[M+K]+ 231.06944 144.6
[M+H-H2O]+ 175.10354 132.9
[M+HCOO]- 237.10448 161.5
[M+CH3COO]- 251.12013 184.5
[M+Na-2H]- 213.08095 144.4
[M]+ 192.10573 137.6
[M]- 192.10683 137.6
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