CID 20553392

7-bromo-2,3,3-trimethyl-3h-indole

Structural Information

Molecular Formula
C11H12BrN
SMILES
CC1=NC2=C(C1(C)C)C=CC=C2Br
InChI
InChI=1S/C11H12BrN/c1-7-11(2,3)8-5-4-6-9(12)10(8)13-7/h4-6H,1-3H3
InChIKey
XOJIBYMUAAIIGI-UHFFFAOYSA-N
Compound name
7-bromo-2,3,3-trimethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

237.0153 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02258 143.7
[M+Na]+ 260.00452 158.6
[M-H]- 236.00802 150.8
[M+NH4]+ 255.04912 169.5
[M+K]+ 275.97846 147.2
[M+H-H2O]+ 220.01256 144.9
[M+HCOO]- 282.01350 164.8
[M+CH3COO]- 296.02915 190.4
[M+Na-2H]- 257.98997 151.5
[M]+ 237.01475 164.6
[M]- 237.01585 164.6
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