CID 13259

833-04-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

266.04187 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04915 157.0
[M+Na]+ 289.03109 159.7
[M+NH4]+ 284.07569 161.8
[M+K]+ 305.00503 160.7
[M-H]- 265.03459 157.2
[M+Na-2H]- 287.01654 159.3
[M]+ 266.04132 156.3
[M]- 266.04242 156.3
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

patents stripe