CID 18722289

88933-46-4

Structural Information

Molecular Formula

C₉H₁₇N₃

SMILES

CC1=C(N(C(=N1)C)CCCN)C

InChI

InChI=1S/C9H17N3/c1-7-8(2)12(6-4-5-10)9(3)11-7/h4-6,10H2,1-3H3

InChIKey

CZUXFFSUVDISFM-UHFFFAOYSA-N

Compound name

3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 167.14224 Da
Monoisotopic Mass: 0.6
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]+	168.14952	138.3
[M+Na]+	190.13146	149.3
[M+NH4]+	185.17606	145.9
[M+K]+	206.10540	145.3
[M-H]-	166.13496	139.3
[M+Na-2H]-	188.11691	142.8
[M]+	167.14169	139.9
[M]-	167.14279	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe