CID 58939

101831-83-8

Structural Information

Molecular Formula
C13H17ClN2
SMILES
CC(C)C(CC1=CNC2=C1C=C(C=C2)Cl)N
InChI
InChI=1S/C13H17ClN2/c1-8(2)12(15)5-9-7-16-13-4-3-10(14)6-11(9)13/h3-4,6-8,12,16H,5,15H2,1-2H3
InChIKey
LZKARLKULOBAJA-UHFFFAOYSA-N
Compound name
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10803 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11531 154.5
[M+Na]+ 259.09725 163.4
[M-H]- 235.10075 156.2
[M+NH4]+ 254.14185 173.9
[M+K]+ 275.07119 157.4
[M+H-H2O]+ 219.10529 148.9
[M+HCOO]- 281.10623 170.8
[M+CH3COO]- 295.12188 192.5
[M+Na-2H]- 257.08270 156.7
[M]+ 236.10748 155.4
[M]- 236.10858 155.4
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.