CID 9353

1-(1h-indol-3-yl)-2-methylpropan-2-amine

Structural Information

Molecular Formula
C12H16N2
SMILES
CC(C)(CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C12H16N2/c1-12(2,13)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,14H,7,13H2,1-2H3
InChIKey
WREHPEFXXFJIIJ-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

188.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 142.6
[M+Na]+ 211.120568 151.3
[M-H]- 187.124074 144.5
[M+NH4]+ 206.165173 163.1
[M+K]+ 227.094508 146.8
[M+H-H2O]+ 171.128610 136.8
[M+HCOO]- 233.129551 164.3
[M+CH3COO]- 247.145201 183.2
[M+Na-2H]- 209.106016 149.8
[M]+ 188.13080142 141.4
[M]- 188.13189858 141.4
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