CID 167727515

5-bromo-6,7-dimethyl-1h-indole

Structural Information

Molecular Formula
C10H10BrN
SMILES
CC1=C(C=C2C=CNC2=C1C)Br
InChI
InChI=1S/C10H10BrN/c1-6-7(2)10-8(3-4-12-10)5-9(6)11/h3-5,12H,1-2H3
InChIKey
XAFRNAAHCAFHMZ-UHFFFAOYSA-N
Compound name
5-bromo-6,7-dimethyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.99966 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00694 141.0
[M+Na]+ 245.98888 155.8
[M-H]- 221.99238 146.8
[M+NH4]+ 241.03348 164.7
[M+K]+ 261.96282 143.5
[M+H-H2O]+ 205.99692 141.8
[M+HCOO]- 267.99786 162.2
[M+CH3COO]- 282.01351 157.2
[M+Na-2H]- 243.97433 148.5
[M]+ 222.99911 160.6
[M]- 223.00021 160.6
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

No patent data available for this compound.