CID 13249

5-bromogramine

Structural Information

Molecular Formula

C₁₁H₁₃BrN₂

SMILES

CN(C)CC1=CNC2=C1C=C(C=C2)Br

InChI

InChI=1S/C11H13BrN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3

InChIKey

FSERHDPEOFYMMK-UHFFFAOYSA-N

Compound name

1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 66
Patents: 252.02621 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.03349	150.3
[M+Na]+	275.01543	153.9
[M+NH4]+	270.06003	155.8
[M+K]+	290.98937	154.4
[M-H]-	251.01893	151.5
[M+Na-2H]-	273.00088	153.7
[M]+	252.02566	150.0
[M]-	252.02676	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe