CID 145709

2-(7-chloro-1h-indol-3-yl)ethan-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

194.06108 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06836 139.6
[M+Na]+ 217.05030 150.5
[M-H]- 193.05380 141.5
[M+NH4]+ 212.09490 160.8
[M+K]+ 233.02424 144.1
[M+H-H2O]+ 177.05834 134.2
[M+HCOO]- 239.05928 158.9
[M+CH3COO]- 253.07493 153.1
[M+Na-2H]- 215.03575 145.8
[M]+ 194.06053 140.6
[M]- 194.06163 140.6
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