CID 10103168

Vuf-5296

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

C1[C@H]([C@@H]1N)C2=CN=CN2

InChI

InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1

InChIKey

OWWNABDDYQLERE-RFZPGFLSSA-N

Compound name

(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 25
Patents: 123.07965 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]+	124.08693	125.6
[M+Na]+	146.06887	137.6
[M+NH4]+	141.11347	134.3
[M+K]+	162.04281	135.6
[M-H]-	122.07237	134.2
[M+Na-2H]-	144.05432	134.4
[M]+	123.07910	130.6
[M]-	123.08020	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe