CID 66118006

1466561-22-7

Structural Information

Molecular Formula

C₈H₁₅N₃O

SMILES

CN1C=NC=C1C(CCO)CN

InChI

InChI=1S/C8H15N3O/c1-11-6-10-5-8(11)7(4-9)2-3-12/h5-7,12H,2-4,9H2,1H3

InChIKey

NLSOHYYDUQEOAJ-UHFFFAOYSA-N

Compound name

4-amino-3-(3-methylimidazol-4-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.1215 Da
Monoisotopic Mass: -1.2
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]+	170.12878	137.8
[M+Na]+	192.11072	146.8
[M+NH4]+	187.15532	144.3
[M+K]+	208.08466	144.2
[M-H]-	168.11422	137.3
[M+Na-2H]-	190.09617	141.5
[M]+	169.12095	138.5
[M]-	169.12205	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.