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	149.6
[M+Na]+	275.01543	162.2
[M-H]-	251.01893	156.1
[M+NH4]+	270.06003	172.0
[M+K]+	290.98937	150.6
[M+H-H2O]+	235.02347	148.9
[M+HCOO]-	297.02441	171.8
[M+CH3COO]-	311.04006	194.7
[M+Na-2H]-	273.00088	156.8
[M]+	252.02566	169.6
[M]-	252.02676	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe