CID 28275451

1263093-99-7

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1CC1C2=NC(=NO2)CCN

InChI

InChI=1S/C7H11N3O/c8-4-3-6-9-7(11-10-6)5-1-2-5/h5H,1-4,8H2

InChIKey

VOAVOYSXTGRPQE-UHFFFAOYSA-N

Compound name

2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 153.09021 Da
Monoisotopic Mass: 0.1
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]+	154.09749	134.4
[M+Na]+	176.07943	144.7
[M-H]-	152.08293	139.7
[M+NH4]+	171.12403	148.1
[M+K]+	192.05337	142.5
[M+H-H2O]+	136.08747	126.5
[M+HCOO]-	198.08841	157.6
[M+CH3COO]-	212.10406	180.0
[M+Na-2H]-	174.06488	140.6
[M]+	153.08966	137.0
[M]-	153.09076	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe