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 144.3
[M+Na]+ 248.00452 156.8
[M-H]- 224.00802 150.4
[M+NH4]+ 243.04912 168.1
[M+K]+ 263.97846 145.7
[M+H-H2O]+ 208.01256 144.7
[M+HCOO]- 270.01350 164.2
[M+CH3COO]- 284.02915 159.7
[M+Na-2H]- 245.98997 151.0
[M]+ 225.01475 162.6
[M]- 225.01585 162.6
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