CID 72212413

1-(6-bromo-1h-indol-3-yl)-2-methylpropan-2-amine

Structural Information

Molecular Formula
C12H15BrN2
SMILES
CC(C)(CC1=CNC2=C1C=CC(=C2)Br)N
InChI
InChI=1S/C12H15BrN2/c1-12(2,14)6-8-7-15-11-5-9(13)3-4-10(8)11/h3-5,7,15H,6,14H2,1-2H3
InChIKey
LAPYRIMXQGIHPR-UHFFFAOYSA-N
Compound name
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.04187 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04915 156.8
[M+Na]+ 289.03109 169.2
[M-H]- 265.03459 161.5
[M+NH4]+ 284.07569 177.9
[M+K]+ 305.00503 156.1
[M+H-H2O]+ 249.03913 156.7
[M+HCOO]- 311.04007 176.0
[M+CH3COO]- 325.05572 194.1
[M+Na-2H]- 287.01654 163.7
[M]+ 266.04132 174.5
[M]- 266.04242 174.5
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.