CID 23276

5-dimethylaminogramine

Structural Information

Molecular Formula

C₁₃H₁₉N₃

SMILES

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

InChI

InChI=1S/C13H19N3/c1-15(2)9-10-8-14-13-6-5-11(16(3)4)7-12(10)13/h5-8,14H,9H2,1-4H3

InChIKey

FRUJOVGZUUVHGQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 217.1579 Da
Monoisotopic Mass: 2.0
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]+	218.165176	150.1
[M+Na]+	240.147118	158.2
[M-H]-	216.150624	155.3
[M+NH4]+	235.191723	170.8
[M+K]+	256.121058	156.1
[M+H-H2O]+	200.155160	142.8
[M+HCOO]-	262.156101	175.7
[M+CH3COO]-	276.171751	199.5
[M+Na-2H]-	238.132566	155.3
[M]+	217.15735142	153.0
[M]-	217.15844858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe