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

3
Annotation Hits: 5
References: 65
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]+	140.11823	130.0
[M+Na]+	162.10017	140.2
[M+NH4]+	157.14477	137.9
[M+K]+	178.07411	136.5
[M-H]-	138.10367	130.7
[M+Na-2H]-	160.08562	135.7
[M]+	139.11040	131.3
[M]-	139.11150	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe