CID 82278907

1-(6-bromo-1-methyl-1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H13BrN2
SMILES
CC(C1=CN(C2=C1C=CC(=C2)Br)C)N
InChI
InChI=1S/C11H13BrN2/c1-7(13)10-6-14(2)11-5-8(12)3-4-9(10)11/h3-7H,13H2,1-2H3
InChIKey
CONBICMDHGODJR-UHFFFAOYSA-N
Compound name
1-(6-bromo-1-methylindol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02621 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03349 150.3
[M+Na]+ 275.01543 163.7
[M-H]- 251.01893 156.7
[M+NH4]+ 270.06003 172.7
[M+K]+ 290.98937 151.7
[M+H-H2O]+ 235.02347 149.8
[M+HCOO]- 297.02441 171.8
[M+CH3COO]- 311.04006 195.2
[M+Na-2H]- 273.00088 155.8
[M]+ 252.02566 169.6
[M]- 252.02676 169.6
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.