CID 59008

Indole, 3-(2-amino-3-methylbutyl)-1-methyl-

Structural Information

Molecular Formula
C14H20N2
SMILES
CC(C)C(CC1=CN(C2=CC=CC=C21)C)N
InChI
InChI=1S/C14H20N2/c1-10(2)13(15)8-11-9-16(3)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8,15H2,1-3H3
InChIKey
PDWLVTSRLBTGBC-UHFFFAOYSA-N
Compound name
3-methyl-1-(1-methylindol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 151.9
[M+Na]+ 239.151858 160.0
[M-H]- 215.155364 155.1
[M+NH4]+ 234.196463 172.0
[M+K]+ 255.125798 156.5
[M+H-H2O]+ 199.159900 145.2
[M+HCOO]- 261.160841 174.0
[M+CH3COO]- 275.176491 194.3
[M+Na-2H]- 237.137306 154.5
[M]+ 216.16209142 152.9
[M]- 216.16318858 152.9
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.