CID 130813099

3-(1h-imidazol-2-yl)oxolan-3-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1COCC1(C2=NC=CN2)N

InChI

InChI=1S/C7H11N3O/c8-7(1-4-11-5-7)6-9-2-3-10-6/h2-3H,1,4-5,8H2,(H,9,10)

InChIKey

BDQOAGGSRPYRPG-UHFFFAOYSA-N

Compound name

3-(1H-imidazol-2-yl)oxolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.09021 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]+	154.097486	129.2
[M+Na]+	176.079428	136.2
[M-H]-	152.082934	132.2
[M+NH4]+	171.124033	150.1
[M+K]+	192.053368	135.3
[M+H-H2O]+	136.087470	122.4
[M+HCOO]-	198.088411	150.2
[M+CH3COO]-	212.104061	142.2
[M+Na-2H]-	174.064876	134.8
[M]+	153.08966142	124.4
[M]-	153.09075858	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe