CID 18891

5-aminogramine

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

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

InChI

InChI=1S/C11H15N3/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7,12H2,1-2H3

InChIKey

LXCLCCAAPPKYBS-UHFFFAOYSA-N

Compound name

3-[(dimethylamino)methyl]-1H-indol-5-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 189.1266 Da
Monoisotopic Mass: 0.4
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]+	190.133876	140.6
[M+Na]+	212.115818	149.4
[M-H]-	188.119324	144.2
[M+NH4]+	207.160423	161.5
[M+K]+	228.089758	146.1
[M+H-H2O]+	172.123860	133.9
[M+HCOO]-	234.124801	165.8
[M+CH3COO]-	248.140451	189.3
[M+Na-2H]-	210.101266	146.6
[M]+	189.12605142	140.5
[M]-	189.12714858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe