CID 12656

N,n-dimethylhistamine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CN(C)CCC1=CN=CN1

InChI

InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)

InChIKey

ZJDIMSMQXMWMCF-UHFFFAOYSA-N

Compound name

2-(1H-imidazol-5-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 83
Patents: 139.11095 Da
Monoisotopic Mass: 0.3
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]+	140.118226	130.0
[M+Na]+	162.100168	137.0
[M-H]-	138.103674	130.8
[M+NH4]+	157.144773	150.4
[M+K]+	178.074108	136.2
[M+H-H2O]+	122.108210	122.5
[M+HCOO]-	184.109151	153.4
[M+CH3COO]-	198.124801	176.4
[M+Na-2H]-	160.085616	136.0
[M]+	139.11040142	129.5
[M]-	139.11149858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe