CID 130049665

4-bromo-3,5-dimethyl-1h-indole

Structural Information

Molecular Formula
C10H10BrN
SMILES
CC1=C(C2=C(C=C1)NC=C2C)Br
InChI
InChI=1S/C10H10BrN/c1-6-3-4-8-9(10(6)11)7(2)5-12-8/h3-5,12H,1-2H3
InChIKey
NIYYCYXBFNLBLP-UHFFFAOYSA-N
Compound name
4-bromo-3,5-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]+ 224.006936 141.0
[M+Na]+ 245.988878 155.8
[M-H]- 221.992384 146.8
[M+NH4]+ 241.033483 164.7
[M+K]+ 261.962818 143.5
[M+H-H2O]+ 205.996920 141.8
[M+HCOO]- 267.997861 162.2
[M+CH3COO]- 282.013511 157.2
[M+Na-2H]- 243.974326 148.5
[M]+ 222.99911142 160.6
[M]- 223.00020858 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.