CID 66118213

[(1-ethyl-1h-imidazol-5-yl)methyl](methyl)amine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CCN1C=NC=C1CNC

InChI

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

InChIKey

GMSYNHUUHQKVSH-UHFFFAOYSA-N

Compound name

1-(3-ethylimidazol-4-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	129.2
[M+Na]+	162.10017	137.4
[M-H]-	138.10367	130.3
[M+NH4]+	157.14477	150.0
[M+K]+	178.07411	136.1
[M+H-H2O]+	122.10821	122.0
[M+HCOO]-	184.10915	153.5
[M+CH3COO]-	198.12480	176.7
[M+Na-2H]-	160.08562	135.7
[M]+	139.11040	129.7
[M]-	139.11150	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe