CID 11230141

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

Structural Information

Molecular Formula
C11H12BrN
SMILES
CC1=NC2=C(C1(C)C)C=C(C=C2)Br
InChI
InChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
InChIKey
OUWLZEOAVCFTAQ-UHFFFAOYSA-N
Compound name
5-bromo-2,3,3-trimethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
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

literature stripe

Patent stripe

patents stripe