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]+ 238.022576 143.7
[M+Na]+ 260.004518 158.6
[M-H]- 236.008024 150.8
[M+NH4]+ 255.049123 169.5
[M+K]+ 275.978458 147.2
[M+H-H2O]+ 220.012560 144.9
[M+HCOO]- 282.013501 164.8
[M+CH3COO]- 296.029151 190.4
[M+Na-2H]- 257.989966 151.5
[M]+ 237.01475142 164.6
[M]- 237.01584858 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