CID 14557

3-(2-aminopropyl)-6-chloroindole hydrochloride

Structural Information

Molecular Formula
C11H13ClN2
SMILES
CC(CC1=CNC2=C1C=CC(=C2)Cl)N
InChI
InChI=1S/C11H13ClN2/c1-7(13)4-8-6-14-11-5-9(12)2-3-10(8)11/h2-3,5-7,14H,4,13H2,1H3
InChIKey
JMDXVHMLNJBQTR-UHFFFAOYSA-N
Compound name
1-(6-chloro-1H-indol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.07672 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08400 144.8
[M+Na]+ 231.06594 154.9
[M-H]- 207.06944 146.7
[M+NH4]+ 226.11054 165.4
[M+K]+ 247.03988 148.8
[M+H-H2O]+ 191.07398 139.4
[M+HCOO]- 253.07492 162.8
[M+CH3COO]- 267.09057 157.8
[M+Na-2H]- 229.05139 149.3
[M]+ 208.07617 145.6
[M]- 208.07727 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe