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]+ 253.033486 150.3
[M+Na]+ 275.015428 163.7
[M-H]- 251.018934 156.7
[M+NH4]+ 270.060033 172.7
[M+K]+ 290.989368 151.7
[M+H-H2O]+ 235.023470 149.8
[M+HCOO]- 297.024411 171.8
[M+CH3COO]- 311.040061 195.2
[M+Na-2H]- 273.000876 155.8
[M]+ 252.02566142 169.6
[M]- 252.02675858 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.