CID 145705

6-chlorotryptamine

Structural Information

Molecular Formula
C10H11ClN2
SMILES
C1=CC2=C(C=C1Cl)NC=C2CCN
InChI
InChI=1S/C10H11ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
InChIKey
LFASSSGQIDKFOU-UHFFFAOYSA-N
Compound name
2-(6-chloro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

194.06108 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06836 138.1
[M+Na]+ 217.05030 152.0
[M+NH4]+ 212.09490 147.6
[M+K]+ 233.02424 145.9
[M-H]- 193.05380 140.7
[M+Na-2H]- 215.03575 144.9
[M]+ 194.06053 141.0
[M]- 194.06163 141.0
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