CID 15058

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

Structural Information

Molecular Formula
C12H15ClN2
SMILES
CCC(CC1=CNC2=C1C=CC(=C2)Cl)N
InChI
InChI=1S/C12H15ClN2/c1-2-10(14)5-8-7-15-12-6-9(13)3-4-11(8)12/h3-4,6-7,10,15H,2,5,14H2,1H3
InChIKey
CGPIRIQGDGRKPH-UHFFFAOYSA-N
Compound name
1-(6-chloro-1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.09238 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09966 149.5
[M+Na]+ 245.08160 159.2
[M-H]- 221.08510 151.2
[M+NH4]+ 240.12620 169.6
[M+K]+ 261.05554 152.8
[M+H-H2O]+ 205.08964 143.9
[M+HCOO]- 267.09058 167.2
[M+CH3COO]- 281.10623 188.6
[M+Na-2H]- 243.06705 153.4
[M]+ 222.09183 150.6
[M]- 222.09293 150.6
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

No patent data available for this compound.