CID 57607116

5-bromo-1-ethyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C10H12BrN
SMILES
CCN1CCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C10H12BrN/c1-2-12-6-5-8-7-9(11)3-4-10(8)12/h3-4,7H,2,5-6H2,1H3
InChIKey
ATBOIVVGHOULCR-UHFFFAOYSA-N
Compound name
5-bromo-1-ethyl-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.0153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 145.3
[M+Na]+ 248.00452 148.9
[M+NH4]+ 243.04912 151.4
[M+K]+ 263.97846 148.9
[M-H]- 224.00802 146.2
[M+Na-2H]- 245.98997 147.9
[M]+ 225.01475 144.9
[M]- 225.01585 144.9
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