CID 9576

5-fluorogramine

Structural Information

Molecular Formula

C₁₁H₁₃FN₂

SMILES

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

InChI

InChI=1S/C11H13FN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3

InChIKey

QNCNSISRJMCGPK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 46
Patents: 192.10628 Da
Monoisotopic Mass: 2.5
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]+	193.113556	139.1
[M+Na]+	215.095498	148.9
[M-H]-	191.099004	141.8
[M+NH4]+	210.140103	160.5
[M+K]+	231.069438	145.5
[M+H-H2O]+	175.103540	131.8
[M+HCOO]-	237.104481	162.9
[M+CH3COO]-	251.120131	187.7
[M+Na-2H]-	213.080946	145.1
[M]+	192.10573142	139.6
[M]-	192.10682858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe